SCHEMBL16088632

SCHEMBL16088632

CCCCc1ccc(NC(=O)c2ccccc2C(=O)O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.54
PLK3 Q9H4B4 6/20 0.54
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
METAP2 P50579 1/20 0.53
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RARB P10826 2/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46

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
SCHEMBL16127895 0.89 MAPT (0.50) PLK1PLK3GAAL3MBTL1MAPT
SCHEMBL16088649 0.89 METAP2 (0.62) PLK1PLK3METAP2
SCHEMBL23864558 0.88 PLK1 (0.44) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL16088633 0.85 PLK1 (0.54) PLK1PLK3METAP2
SCHEMBL16088691 0.83 KMT2A (0.61) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL17531732 0.83 PLK1 (0.49) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL16088619 0.82 PLK1 (0.51) PLK1PLK3METAP2
SCHEMBL16088652 0.82 PLK1 (0.48) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL16088611 0.78 KMT2A (0.58) GAAL3MBTL1MAPTALDH1A1
SCHEMBL7821783 0.77 MAPT (0.74) GAAL3MBTL1MAPTALDH1A1

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 1776/4885PLK3 3998/4885GAA 2935/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 PLK1 1776/4885PLK3 3998/4885GAA 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.