SCHEMBL12700202

SCHEMBL12700202

CCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.73
▸ MEN1 O00255 5/20 0.71
▸ KMT2A Q03164 5/20 0.71
▸ PPARA Q07869 1/20 0.71
▸ GPR35 Q9HC97 1/20 0.71
▸ RAB9A P51151 4/20 0.70
▸ LMNA P02545 2/20 0.70
▸ GLA P06280 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ MAPT P10636 4/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ HPGD P15428 4/20 0.63
▸ THRB P10828 1/20 0.63
▸ GAA P10253 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ GFER P55789 1/20 0.56

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
SCHEMBL12173053 0.92 KMT2A (0.78) ALDH1A1MEN1KMT2APPARAGPR35
SCHEMBL25314257 0.83 SMN1; SMN2 (0.68) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL16425596 0.83 ALDH1A1 (0.72) ALDH1A1MEN1KMT2APPARAGPR35
SCHEMBL16425597 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APPARAGPR35
Bromide SCHEMBL28300666 0.79 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APPARAGPR35
SCHEMBL7829395 0.79 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL235931 0.78 ALDH1A1 (0.85) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPK1
SCHEMBL31589072 0.78 ALDH1A1 (0.85) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPK1
SCHEMBL2058694 0.78 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL13927135 0.78 ALDH1A1 (0.92) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 — — US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 — — US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 — — US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 — — US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 — — US disclosed
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 — — 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 (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-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 ALDH1A1 63/4885MEN1 4660/4885KMT2A 3000/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 ALDH1A1 63/4885MEN1 4660/4885KMT2A 3000/4885

“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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