SCHEMBL3875829

SCHEMBL3875829

CS(=O)(=O)OCc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
NTSR1 P30989 1/20 0.51
HPGD P15428 6/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 2/20 0.42
S1PR4 O95977 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
S1PR1 P21453 1/20 0.42
SDHB P21912 1/20 0.42

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
SCHEMBL6286312 0.83 IDO1 (0.52) MEN1KMT2ALMNAHTTTSHR
SCHEMBL4051446 0.77 CYP1A2 (0.48) ALDH1A1CYP2C19DAGLBCA12CA1
SCHEMBL19845815 0.76 CA2 (0.52) KMT2AALDH1A1KDM4ELMNADAGLB
SCHEMBL249386 0.76 CA2 (0.63) HPGDALDH1A1POLBRAB9ATSHR
Benzene SCHEMBL27447210 0.76 CA2 (0.63) HPGDALDH1A1POLBRAB9ATSHR
SCHEMBL23184057 0.75 MEN1 (0.59) MEN1KMT2ANTSR1HPGDMAPT
SCHEMBL18388725 0.75 MEN1 (0.59) MEN1KMT2ANTSR1HPGDMAPT
SCHEMBL4952656 0.74 CA2 (0.58) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL17367827 0.74 MEN1 (0.79) MEN1KMT2ANTSR1HPGDMAPT
SCHEMBL17970040 0.74 MEN1 (0.79) MEN1KMT2ANTSR1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US disclosed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ MEN1 3043/4885KMT2A 2273/4885NTSR1 1638/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO MEN1 2140/4885KMT2A 2369/4885NTSR1 1536/4885

“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.