SCHEMBL16088657

SCHEMBL16088657

CCCCc1ccc(NC(=O)c2cccc(Cl)c2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.58
▸ TRPV1 Q8NER1 1/20 0.55
▸ KLKB1 P03952 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ KDR P35968 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NR3C1 P04150 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMO Q99835 1/20 0.48
▸ POLB P06746 1/20 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
SCHEMBL16088642 0.90 PLK1 (0.56) PLK1TRPV1ALOX15NPC1ALDH1A1
SCHEMBL16127943 0.89 KLKB1 (0.52) PLK1KLKB1ALOX15NPC1RAB9A
SCHEMBL7190666 0.86 TRPV1 (0.61) TRPV1ALOX15KDRNPC1ALDH1A1
SCHEMBL16088692 0.85 PLK1 (0.58) PLK1TRPV1KDRNPC1ALDH1A1
SCHEMBL23864512 0.83 ITGB1 (0.52) PLK1TRPV1KLKB1ALOX15KDR
SCHEMBL16088655 0.82 TRPV1 (0.52) PLK1TRPV1KDRNPC1ALDH1A1
SCHEMBL7604301 0.80 NPC1 (0.52) PLK1TRPV1NPC1ALDH1A1NFKB1
SCHEMBL3478178 0.80 ALDH1A1 (0.61) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL28259296 0.80 ALDH1A1 (0.61) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL16127933 0.79 ITGB1 (0.52) PLK1KLKB1ALOX15ITGB1ITGA4

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 PLK1 1776/4885TRPV1 3806/4885KLKB1 3944/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 PLK1 1776/4885TRPV1 3806/4885KLKB1 3944/4885

“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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