SCHEMBL16127939

SCHEMBL16127939

N#Cc1cccc(C(=O)Nc2ccc(CCCO)cc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALOX15 P16050 4/20 0.43
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ HPGD P15428 2/20 0.38

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
SCHEMBL16127940 0.91 KMT2A (0.43) KMT2ALMNAPOLBALOX15HTT
SCHEMBL16088655 0.90 TRPV1 (0.52) KMT2ALMNAPOLBALDH1A1KDM4E
SCHEMBL17538521 0.82 FFAR1 (0.52) LMNAPOLBALOX15MAPTALDH1A1
SCHEMBL16127942 0.82 MEN1 (0.49) KMT2ALMNAPOLBALOX15HTT
SCHEMBL16127943 0.82 KLKB1 (0.52) KMT2AALOX15MAPTMEN1SMN1; SMN2
SCHEMBL16088634 0.81 TRPV1 (0.52) POLBALDH1A1KDM4ESMN1; SMN2TRPV1
SCHEMBL22114107 0.81 TAS1R3 (0.39) KMT2ALMNAPOLBALOX15HTT
SCHEMBL12614440 0.79 ALDH1A1 (0.63) KMT2ALMNAALOX15ALDH1A1ADRB2
SCHEMBL16127933 0.77 ITGB1 (0.52) ALOX15KLKB1
SCHEMBL16127938 0.75 HTT (0.49) KMT2AALOX15HTTMEN1KLKB1

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 7 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-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

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 KMT2A 3871/4885LMNA 1445/4885POLB 3187/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KMT2A 3871/4885LMNA 1445/4885POLB 3187/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KMT2A 3871/4885LMNA 1445/4885POLB 3187/4885

“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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