SCHEMBL16088644

SCHEMBL16088644

CC(=O)c1ccc(CNC(=O)c2cc(F)ccc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ PTGER4 P35408 5/20 0.57
▸ PTGER2 P43116 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.53
▸ APEX1 P27695 1/20 0.52
▸ NR1H4 Q96RI1 5/20 0.52
▸ EPHX2 P34913 2/20 0.52
▸ PYGL P06737 1/20 0.52
▸ LMNA P02545 2/20 0.48

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
SCHEMBL16127850 0.91 PTGER4 (0.67) KMT2ACYP1A2CYP2C19PTGER4PTGER2
SCHEMBL16088672 0.87 PTGER4 (0.63) KMT2ACYP1A2CYP2C19PTGER4PTGER2
SCHEMBL16127851 0.85 PTGER4 (0.67) KMT2ACYP1A2CYP2C19PTGER4PTGER2
SCHEMBL16088676 0.82 AKR1C3 (0.55) KMT2AALDH1A1APEX1NR1H4EPHX2
SCHEMBL16088690 0.82 APEX1 (0.79) KMT2ACYP1A2CYP2C19ALDH1A1APEX1
SCHEMBL23864209 0.82 PTGER4 (0.51) KMT2ACYP1A2CYP2C19PTGER4PTGER2
SCHEMBL29404059 0.77 PTGER4 (0.74) CYP1A2PTGER4PTGER2ALDH1A1NR1H4
SCHEMBL16088696 0.77 AKR1C3 (0.55) KMT2AALDH1A1APEX1NR1H4EPHX2
SCHEMBL24735197 0.77 PTGER4 (0.74) CYP1A2PTGER4PTGER2ALDH1A1NR1H4
SCHEMBL29002468 0.77 NR1H4 (0.76) KMT2AALDH1A1NR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 — — 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 (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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KMT2A 3871/4885CYP1A2 3874/4885CYP2C19 4881/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KMT2A 3871/4885CYP1A2 3874/4885CYP2C19 4881/4885

“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.

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