SCHEMBL12700210

SCHEMBL12700210

NCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
KLKB1 P03952 4/20 0.64
PLG P00747 5/20 0.61
KLK1 P06870 5/20 0.61
KLK6 Q92876 5/20 0.61
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.55
MEN1 O00255 1/20 0.55
GFER P55789 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
APEX1 P27695 1/20 0.54
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL17538569 0.86 ALDH1A1 (0.63) ALDH1A1PLGKLK1KLK6KMT2A
SCHEMBL13927135 0.86 ALDH1A1 (0.92) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL16426269 0.85 ALDH1A1 (0.71) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL12615048 0.85 ALDH1A1 (0.71) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL16088650 0.85 ALDH1A1 (0.61) ALDH1A1KMT2ACYP1A2GFER
SCHEMBL17538448 0.84 ALDH1A1 (0.65) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL4335299 0.84 ALDH1A1 (0.69) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL7829395 0.84 ALDH1A1 (0.70) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL4322720 0.84 ALDH1A1 (0.69) ALDH1A1KMT2ACYP1A2MEN1GFER
SCHEMBL18132588 0.84 FFAR1 (0.73) ALDH1A1KMT2ACYP1A2MEN1GFER

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 6 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
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 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 63/4885KLKB1 3672/4885PLG 1902/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 ALDH1A1 63/4885KLKB1 3672/4885PLG 1902/4885

“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.