SCHEMBL16088591

SCHEMBL16088591

CC(F)(F)c1cccc(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
P2RX1 P51575 1/20 0.59
RXFP1 Q9HBX9 13/20 0.59
PTGS1 P23219 1/20 0.58
CYP1A2 P05177 1/20 0.56
HTT P42858 1/20 0.56
GRIK1 P39086 1/20 0.55

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
SCHEMBL7814990 0.89 P2RX1 (0.74) MEN1KMT2AP2RX1RXFP1PTGS1
SCHEMBL13927138 0.82 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ACYP1A2HTT
SCHEMBL14150061 0.81 RXFP1 (0.64) ALDH1A1MEN1KMT2AP2RX1RXFP1
SCHEMBL19002050 0.81 TAS2R14 (0.62) RXFP1PTGS1GRIK1
SCHEMBL17925886 0.81 MEN1 (0.57) ALDH1A1MEN1KMT2ARXFP1CYP1A2
SCHEMBL16088599 0.80 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AP2RX1RXFP1
SCHEMBL16127831 0.80 RXFP1 (0.76) P2RX1RXFP1PTGS1
SCHEMBL10797383 0.80 P2RX1 (0.73) ALDH1A1P2RX1RXFP1PTGS1
Ammonia Solution, Strong SCHEMBL28873301 0.79 MAPT (0.55) ALDH1A1MEN1KMT2ARXFP1HTT
SCHEMBL16088608 0.78 CYP1A2 (0.57) ALDH1A1MEN1KMT2ACYP1A2HTT

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 ALDH1A1 52/4885MEN1 4679/4885KMT2A 3871/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ALDH1A1 52/4885MEN1 4679/4885KMT2A 3871/4885

“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.