SCHEMBL16127886

SCHEMBL16127886

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.69
▸ ALDH1A1 P00352 3/20 0.54
▸ TAS2R14 Q9NYV8 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 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
SCHEMBL22113949 0.89 HTT (0.54) HTT
SCHEMBL16127914 0.84 HTT (0.69) HTTALDH1A1TAS2R14CYP1A2MEN1
SCHEMBL16127860 0.83 TAS2R14 (0.70) HTTALDH1A1TAS2R14
SCHEMBL23864364 0.82 HTT (0.47) HTT
SCHEMBL12700379 0.82 HTT (1.00) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL12700352 0.80 HTT (0.71) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL28284734 0.78 GPR35 (0.56) —
SCHEMBL2700103 0.77 HTT (0.71) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL16088612 0.76 HTT (0.61) HTTALDH1A1KMT2AGAAMAPT
SCHEMBL23230463 0.76 ALDH1A1 (0.48) HTTALDH1A1CYP1A2MEN1KMT2A

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 52/4885TAS2R14 4623/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ALDH1A1 52/4885TAS2R14 4623/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ALDH1A1 52/4885TAS2R14 4623/4885

“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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