SCHEMBL1508353

SCHEMBL1508353

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
PPARD Q03181 11/20 0.57
PPARA Q07869 9/20 0.57
PPARG P37231 7/20 0.57
MAPT P10636 2/20 0.56
FFAR1 O14842 7/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3374725 0.88 MAPT (0.60) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL11926060 0.86 NPC1 (0.56) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL3371906 0.86 MAPT (0.55) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL5016720 0.86 MAPT (0.57) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4472919 0.85 ALDH1A1 (0.45) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL5015456 0.85 NPC1 (0.54) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL12151262 0.85 NPC1 (0.54) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL1553917 0.85 NPC1 (0.54) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL3822273 0.85 NPC1 (0.58) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL27717557 0.85 NPC1 (0.54) NPC1ALDH1A1GAAPPARDPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166613-A1 PROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR) COMPOUNDS AND METHODS OF USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2024-05-23 US disclosed
US-11897852-B2 Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same THE UNIVERSITY OF TOLEDO (US) 2024-02-13 US disclosed
US-20210163431-A1 PROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR) COMPOUNDS AND METHODS OF USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2021-06-03 US disclosed
US-10941125-B2 Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same THE UNIVERSITY OF TOLEDO (US) 2021-03-09 US disclosed
US-20190330166-A1 Proxisome Proliferator Activated Receptor (PPAR) Compounds and Methods of Using the Same THE UNIVERSITY OF TOLEDO (US) 2019-10-31 US disclosed
US-10351541-B2 Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same THE UNIVERSITY OF TOLEDO (US) 2019-07-16 US disclosed
US-20170283385-A1 Proxisome Proliferator Activated Receptor (PPAR) Compounds and Methods of Using the Same THE UNIVERSITY OF TOLEDO (US) 2017-10-05 US disclosed
US-9695137-B2 Analogs of peroxisome proliferator activated receptor (PPAR) agonists, and methods of using the same THE UNIVERSITY OF TOLEDO (US) 2017-07-04 US disclosed
US-20160016920-A1 Analogs of Peroxisome Proliferator Activated Receptor (PPAR) Agonists, and Methods of Using the Same THE UNIVERSITY OF TOLEDO (US) 2016-01-21 US disclosed
WO-2014152809-A2 ANALOGS OF PPARO AND 20-OH-PGE2, AND METHODS OF USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2014-09-25 WO disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
US-20040102493-A1 Thia-and oxazoles and their use as ppars activators SMITHKLINE BEECHAM CORPORATION 2004-05-27 US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
WO-2003106442-A1 PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME KANG HEONJOONG (KR) 2003-12-24 WO disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
EP-1343772-A1 THIA- AND OXAZOLES AND THEIR USE AS PPARS ACTIVATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2003074050-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 WO disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
WO-2002050048-A1 THIA- AND OXAZOLES AND THEIR USE AS PPARS ACTIVATORS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102493-A1 Thia-and oxazoles and their use as ppars activators PPARA, PPARG, NCOA1 NPC1 779/4885ALDH1A1 2302/4885GAA 1390/4885
US-20240166613-A1 PROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR) COMPOUNDS AND METHODS OF USING THE SAME PPARG, PPARA, PPARD NPC1 1480/4885ALDH1A1 1053/4885GAA 1788/4885
US-20190330166-A1 Proxisome Proliferator Activated Receptor (PPAR) Compounds and Methods of Using the Same PPARG, PPARA, PPARD NPC1 1459/4885ALDH1A1 1102/4885GAA 1728/4885
US-10941125-B2 Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same PPARG, PPARA, PPARD NPC1 1459/4885ALDH1A1 1102/4885GAA 1728/4885
US-10351541-B2 Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same PPARG, PPARA, PPARD NPC1 1459/4885ALDH1A1 1102/4885GAA 1728/4885
US-20160016920-A1 Analogs of Peroxisome Proliferator Activated Receptor (PPAR) Agonists, and Methods of Using the Same PPARG, PPARA, PPARD NPC1 3749/4885ALDH1A1 651/4885GAA 3281/4885
US-11897852-B2 Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same PPARG, PPARA, PPARD NPC1 1459/4885ALDH1A1 1102/4885GAA 1728/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR NPC1 300/4885ALDH1A1 274/4885GAA 1642/4885
US-20210163431-A1 PROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR) COMPOUNDS AND METHODS OF USING THE SAME PPARG, PPARA, PPARD NPC1 1459/4885ALDH1A1 1102/4885GAA 1728/4885
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG NPC1 147/4885ALDH1A1 886/4885GAA 858/4885
US-20170283385-A1 Proxisome Proliferator Activated Receptor (PPAR) Compounds and Methods of Using the Same PPARG, PPARA, PPARD NPC1 1459/4885ALDH1A1 1102/4885GAA 1728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.