SCHEMBL2412449

SCHEMBL2412449

Cc1cc(-c2ccc(F)cc2)ccc1OCCc1csc(SC(C)(C)C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
PPARA Q07869 4/20 0.36
AAK1 Q2M2I8 1/20 0.35
PPARD Q03181 4/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
TP53 P04637 1/20 0.35
CTSA P10619 1/20 0.35
POLB P06746 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL2414328 0.92 PPARD (0.41) SLC22A12PPARAPPARDTP53PTPN1
SCHEMBL2413931 0.91 RAB9A (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2414497 0.90 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2PPARA
SCHEMBL2410601 0.90 RAB9A (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2413373 0.88 RAB9A (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2417115 0.87 S1PR1 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2417049 0.87 XDH (0.42) SLC22A12AAK1S1PR1S1PR3
SCHEMBL2413164 0.87 SLC22A12 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2410486 0.87 NPC1 (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL2411866 0.87 RAB9A (0.35) RAB9ANPC1ALDH1A1SMN1; SMN2SLC22A12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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 (1 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG RAB9A 2891/4885NPC1 271/4885ALDH1A1 175/4885

“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.