SCHEMBL16127914

SCHEMBL16127914

N#Cc1cc(Cl)cc(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.69
▸ ALDH1A1 P00352 4/20 0.54
▸ RIPK1 Q13546 1/20 0.53
▸ FADS1 O60427 2/20 0.52
▸ GAA P10253 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ P2RX1 P51575 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ TMPRSS4 Q9NRS4 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ACLY P53396 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.45

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
SCHEMBL7822055 0.85 FADS1 (0.69) HTTALDH1A1FADS1GAAMAPT
SCHEMBL16127886 0.84 HTT (0.69) HTTALDH1A1GAAMAPTMEN1
SCHEMBL12700379 0.82 HTT (1.00) HTTALDH1A1MAPTP2RX1MEN1
SCHEMBL16127860 0.81 TAS2R14 (0.70) HTTALDH1A1P2RX1TMPRSS4TAS2R14
SCHEMBL12700352 0.80 HTT (0.71) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16088827 0.78 HTT (0.61) HTTALDH1A1GAAMAPTKMT2A
SCHEMBL29177396 0.78 GPR35 (0.56) HTTRIPK1MAPTP2RX1MEN1
SCHEMBL16127909 0.76 P2RX1 (0.60) ALDH1A1FADS1GAAMAPTP2RX1
SCHEMBL29739234 0.76 POLB (0.49) HTTALDH1A1RIPK1GAAMAPT
SCHEMBL16089197 0.76 GRM4 (0.64) HTTALDH1A1GAAMAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 — — US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 — — US disclosed
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
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 — — WO 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 (3 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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 HTT 4161/4885ALDH1A1 52/4885RIPK1 1679/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ALDH1A1 52/4885RIPK1 1679/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ALDH1A1 52/4885RIPK1 1679/4885

“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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