SCHEMBL16088652

SCHEMBL16088652

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.48
PLK3 Q9H4B4 5/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
METAP2 P50579 1/20 0.47
KMT2A Q03164 1/20 0.47
F2R P25116 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CREBBP Q92793 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL16127894 0.90 KMT2A (0.45) PLK1PLK3GAAL3MBTL1KMT2A
SCHEMBL16088691 0.87 KMT2A (0.61) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL16088649 0.83 METAP2 (0.62) PLK1PLK3METAP2
SCHEMBL16088632 0.82 PLK1 (0.54) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL17531732 0.82 PLK1 (0.49) PLK1PLK3GAAL3MBTL1METAP2
SCHEMBL16088725 0.81 GAA (0.50) PLK1GAAL3MBTL1KMT2AF2R
SCHEMBL16088633 0.80 PLK1 (0.54) PLK1PLK3METAP2
SCHEMBL16088623 0.79 F2R (0.53) GAAL3MBTL1KMT2AF2RPPARA
SCHEMBL16127834 0.78 KMT2A (0.61) GAAL3MBTL1KMT2APPARGPPARA
SCHEMBL12172753 0.78 KMT2A (0.67) GAAL3MBTL1METAP2KMT2A

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.