SCHEMBL16127992

SCHEMBL16127992

N#Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.48
PTGES O14684 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47

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
SCHEMBL16088831 0.91 CHRNB2 (0.71) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL16088669 0.87 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2571393 0.86 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL16127944 0.85 CYP2C9 (0.71) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7372972 0.83 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6793819 0.82 RXFP1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6167423 0.81 F10 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12700352 0.81 HTT (0.71) ALDH1A1POLBCYP3A4CYP2C9ALOX12
SCHEMBL7657583 0.81 PLAU (0.71) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL20764458 0.80 MLYCD (0.68) POLBKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 EP disclosed
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 US disclosed
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 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 (3 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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 CHRNB2 2789/4885CHRNB4 2712/4885CHRNA3 2953/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CHRNB2 2789/4885CHRNB4 2712/4885CHRNA3 2953/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CHRNB2 2789/4885CHRNB4 2712/4885CHRNA3 2953/4885

“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.