Sugi Predict

Sugi Predict / Compounds / SCHEMBL1633580

SCHEMBL1633580

SCHEMBL1633580

COc1cc(S)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ MAOB P27338 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL2093083 0.82 GAA (0.43) GAANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL1138620 0.78 CA2 (0.54) ALDH1A1MAPK1POLBCYP2C9CYP2C19
SCHEMBL1808482 0.77 GAA (0.43) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL21465857 0.77 ALDH1A1 (0.45) GAANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL19121462 0.77 CSNK2A1 (0.43) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL22596995 0.77 L3MBTL1 (0.50) NPC1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL15932982 0.76 CYP3A4 (0.41) GAAALDH1A1MAPTMAPK1CYP2C9
SCHEMBL4302847 0.76 DYRK1A (0.65) GAANPC1ALDH1A1MAPTDYRK1A
SCHEMBL28861314 0.76 CA2 (0.52) ALDH1A1MAPK1POLBCYP2C9CYP2C19
SCHEMBL254432 0.76 TRPV4 (0.53) GAANPC1ALDH1A1MAPTDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 — — US disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 — — US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 — — US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 — — US disclosed
EP-3765482-A1 NTCP INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-01-20 — — EP disclosed
CN-112218878-A NTCP inhibitors 北京生命科学研究所 2021-01-12 — — CN disclosed
WO-2019196953-A1 NTCP INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-10-17 — — WO disclosed
WO-2019196953-A1 NTCP INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-10-17 — — WO disclosed
EP-2435462-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS Pfizer Limited (GB) 2012-04-04 — — EP disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 — — US disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 — — WO disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 — — WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 — — US disclosed
US-7332261-B2 Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 — — US disclosed
EP-1482013-B1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME CIBA SC HOLDING AG (CH) 2007-07-18 — — EP disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 — — US disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 — — EP disclosed
US-20050201265-A1 Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS, INC. (JP) 2005-09-15 — — US disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 — — EP disclosed
US-4238611-A Polysubstituted derivatives of 10-piperazinodibenzo (b,f) thiepine SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1980-12-09 — — US 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 (4 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR GAA 2037/4885NPC1 2/4885ALDH1A1 4749/4885
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R GAA 2884/4885NPC1 1661/4885ALDH1A1 2013/4885
US-20060241302-A1 Morpholine derivatives APP, BACE1, SMS GAA 2803/4885NPC1 2541/4885ALDH1A1 3313/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR GAA 2037/4885NPC1 2/4885ALDH1A1 4749/4885

“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.