SCHEMBL16088634

SCHEMBL16088634

CCCCc1ccc(NC(=O)c2c(C#N)cccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.52
▸ TP53 P04637 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PLK1 P53350 4/20 0.46
▸ PLK3 Q9H4B4 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KDR P35968 1/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL16088655 0.91 TRPV1 (0.52) TRPV1TP53GAANPC1ALDH1A1
SCHEMBL16127940 0.90 KMT2A (0.43) TRPV1ALDH1A1SMN1; SMN2PLK1POLB
SCHEMBL16088642 0.85 PLK1 (0.56) TRPV1TP53GAANPC1ALDH1A1
SCHEMBL16088671 0.83 TRPV1 (0.56) TRPV1TP53GAANPC1ALDH1A1
SCHEMBL16088641 0.82 PLK1 (0.56) TRPV1TP53GAANPC1ALDH1A1
SCHEMBL16127939 0.81 KMT2A (0.46) TRPV1ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL7190666 0.80 TRPV1 (0.61) TRPV1TP53GAANPC1ALDH1A1
SCHEMBL23864564 0.78 NPC1 (0.50) TRPV1TP53GAANPC1ALDH1A1
SCHEMBL23864305 0.78 NPC1 (0.47) TRPV1TP53NPC1ALDH1A1RAB9A
SCHEMBL16088640 0.76 TRPV1 (0.50) TRPV1TP53GAANPC1ALDH1A1

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 TRPV1 3806/4885TP53 688/4885GAA 2935/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 TRPV1 3806/4885TP53 688/4885GAA 2935/4885

“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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