SCHEMBL16088612

SCHEMBL16088612

N#Cc1ccc(F)c(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.61
▸ ACLY P53396 1/20 0.54
▸ MAP2K1 Q02750 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PKM P14618 1/20 0.47
▸ GPR27 Q9NS67 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ GPR6 P46095 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
SCHEMBL16088827 0.84 HTT (0.61) HTTACLYALDH1A1SMN1; SMN2GAA
SCHEMBL23864721 0.82 ACLY (0.47) HTTACLYMAP2K1ALDH1A1SMN1; SMN2
SCHEMBL16088606 0.81 KMT2A (0.65) HTTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2699444 0.78 HTT (0.69) HTTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL12700352 0.77 HTT (0.71) HTTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL16127868 0.77 CREBBP (0.64) ALDH1A1GAAL3MBTL1KMT2APPARG
SCHEMBL12700379 0.76 HTT (1.00) HTTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL17531737 0.76 GRM4 (0.63) HTTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL16127886 0.76 HTT (0.69) HTTALDH1A1GAAKMT2AMAPT
SCHEMBL3552549 0.75 DYRK1A (0.47) ACLYMAP2K1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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-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-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
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 (4 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 4161/4885ACLY 1208/4885MAP2K1 3368/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ACLY 1208/4885MAP2K1 3368/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ACLY 1208/4885MAP2K1 3368/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HTT 4161/4885ACLY 1208/4885MAP2K1 3368/4885

“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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