SCHEMBL16088692

SCHEMBL16088692

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.58
▸ PLK3 Q9H4B4 2/20 0.58
▸ PTPN1 P18031 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.55
▸ DGAT1 O75907 1/20 0.50
▸ KDR P35968 1/20 0.49
▸ TP53 P04637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ LMNA P02545 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
SCHEMBL16088641 0.90 PLK1 (0.56) PLK1PLK3TRPV1DGAT1KDR
SCHEMBL16127942 0.89 MEN1 (0.49) PLK1PLK3PTPN1TP53POLB
SCHEMBL7190666 0.86 TRPV1 (0.61) TRPV1KDRTP53GAAPOLB
SCHEMBL16088657 0.85 PLK1 (0.58) PLK1TRPV1KDRTP53GAA
SCHEMBL16088655 0.82 TRPV1 (0.52) PLK1TRPV1KDRTP53GAA
SCHEMBL13181160 0.81 TRPV1 (0.53) PLK1PLK3TRPV1DGAT1TP53
SCHEMBL7604406 0.80 NPC1 (0.52) PLK1PLK3TRPV1DGAT1TP53
SCHEMBL16088671 0.79 TRPV1 (0.56) PLK1PLK3TRPV1KDRTP53
SCHEMBL16127937 0.79 PLK1 (0.46) PLK1PLK3TRPV1DGAT1GAA
SCHEMBL16088642 0.78 PLK1 (0.56) PLK1PLK3TRPV1TP53GAA

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 4 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
US-8580242-B2 Cyclodextrin-based polymers for therapeutics delivery CERULEAN PHARMA INC. (US) 2013-11-12 — — 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 1776/4885PLK3 3998/4885PTPN1 4286/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 PLK1 1776/4885PLK3 3998/4885PTPN1 4286/4885

“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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