SCHEMBL7824357

SCHEMBL7824357

CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ GFER P55789 1/20 0.68
▸ MAPT P10636 4/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TAAR1 Q96RJ0 1/20 0.62
▸ CYP1A2 P05177 1/20 0.60
▸ KMT2A Q03164 4/20 0.59
▸ POLB P06746 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ AHR P35869 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ CACNA1B Q00975 1/20 0.56

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
SCHEMBL2058694 0.88 ALDH1A1 (0.79) ALDH1A1GFERCYP1A2KMT2AKDM4E
SCHEMBL13927135 0.88 ALDH1A1 (0.92) ALDH1A1GFERCYP1A2KMT2APOLB
SCHEMBL14291632 0.86 ALDH1A1 (0.76) ALDH1A1GFERMAPTNPC1RAB9A
SCHEMBL18132590 0.86 ALDH1A1 (0.65) ALDH1A1GFERNPC1RAB9ASMN1; SMN2
SCHEMBL12189604 0.85 GFER (0.75) ALDH1A1GFERMAPTNPC1RAB9A
SCHEMBL9067133 0.84 ALDH1A1 (0.71) ALDH1A1GFERNPC1RAB9AKMT2A
SCHEMBL25314257 0.84 SMN1; SMN2 (0.68) ALDH1A1GFERMAPTNPC1RAB9A
SCHEMBL12700378 0.84 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL45299 0.84 ALDH1A1 (1.00) ALDH1A1GFERNPC1RAB9ACYP1A2
SCHEMBL1991348 0.84 ALDH1A1 (1.00) ALDH1A1GFERNPC1RAB9ACYP1A2

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-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 — — US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 — — US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 — — US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 — — US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 — — US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (2 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-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 ALDH1A1 63/4885GFER 4297/4885MAPT 4575/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 ALDH1A1 63/4885GFER 4297/4885MAPT 4575/4885

“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.

Send feedback