Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538996

SCHEMBL3538996

SCHEMBL3538996

CSc1cccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PIN1 Q13526 2/20 0.35
▸ HTR2C P28335 3/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PDE4C Q08493 1/20 0.33

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
SCHEMBL3540819 0.87 ACKR3 (0.41) ACKR3KDM4EKMT2AALDH1A1PIN1
SCHEMBL3537377 0.86 ALDH1A1 (0.43) KDM4EALDH1A1
SCHEMBL3541008 0.86 TLR7 (0.45) ACKR3KDM4EKMT2ARXFP1ALDH1A1
SCHEMBL3534293 0.86 NTMT1 (0.39) ACKR3KDM4EKMT2ACLK1RXFP1
SCHEMBL3535648 0.85 ACKR3 (0.47) ACKR3PIN1HTR3EHTR3BCHRNA7
SCHEMBL3541605 0.85 ACKR3 (0.37) ACKR3KDM4EKMT2ACLK1RXFP1
SCHEMBL27730546 0.84 ACKR3 (0.40) ACKR3KDM4EKMT2ACLK1RXFP1
SCHEMBL3545134 0.84 ACKR3 (0.46) ACKR3PIN1HTR3EHTR3BCHRNA7
SCHEMBL4983913 0.83 ACKR3 (0.45) ACKR3ALDH1A1PIN1HTR3EHTR3B
SCHEMBL3543606 0.82 HTR2C (0.38) ACKR3KMT2AHTR2CCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US claimed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 — — US claimed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 — — 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 (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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ACKR3 3834/4885KDM4E 1513/4885KMT2A 1489/4885

“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.