SCHEMBL2485161

SCHEMBL2485161

Cc1cccc(C)c1NC(C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RPS6KB1 P23443 2/20 0.41
AURKA O14965 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
DHODH Q02127 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PPARA Q07869 1/20 0.40
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL17997772 0.98 MEN1 (0.44) MEN1THRBKMT2AL3MBTL1POLB
SCHEMBL6036632 0.87 ACP3 (0.43) CYP2C19CYP2D6PTGS2PPARAHDAC8
SCHEMBL2483409 0.82 RAB9A (0.48) L3MBTL1POLBCYP3A4CYP2C19CYP2D6
SCHEMBL7578887 0.81 LMNA (0.50) MEN1KMT2AL3MBTL1POLBCYP3A4
Hydrochloric Acid SCHEMBL1695958 0.81 RAB9A (0.47) L3MBTL1POLBCYP3A4CYP2C19CYP2D6
SCHEMBL7574039 0.80 FPR2 (0.47) RPS6KB1AURKACYP2D6SRCALDH1A1
SCHEMBL7582497 0.79 HTT (0.49) MEN1KMT2ACYP3A4CYP2C19RPS6KB1
SCHEMBL7574624 0.79 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1POLBCYP3A4
SCHEMBL7576033 0.79 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1POLBCYP3A4
SCHEMBL360635 0.79 CXCL8 (0.45) MEN1KMT2ACYP3A4RPS6KB1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264734-B Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA 2015-06-17 CN claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MEN1 4121/4885THRB 564/4885KMT2A 1874/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MEN1 4121/4885THRB 564/4885KMT2A 1874/4885

“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.