SCHEMBL2462885

SCHEMBL2462885

Cc1ccc(S(=O)(=O)OCC2CCC(c3cccnc3)N2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
BLM P54132 2/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
ADRB2 P07550 2/20 0.40
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11995176 0.88 CYP2C19 (0.41) CYP2C19BLMPKMAPEX1HSD17B10
SCHEMBL18396809 0.81 STAT3 (0.45) ALDH1A1CYP2D6CYP2C9KDM4ELMNA
SCHEMBL2463859 0.77 STAT3 (0.41) CYP2C19ALDH1A1CYP3A4TSHRCYP2D6
SCHEMBL2460526 0.74 KDM4E (0.44) BLMALDH1A1CYP3A4TSHRKDM4E
SCHEMBL23245584 0.71 STAT3 (0.43) ALDH1A1TSHRCYP2D6CYP2C9KDM4E
SCHEMBL30120770 0.71 HTR2A (0.38) CYP2C19PKMAPEX1ALDH1A1CYP3A4
SCHEMBL18410574 0.70 LMNA (0.49) CYP2C19LMNAMAPTHPGD
SCHEMBL3834098 0.69 CYP2D6 (0.45) HSD17B10ALDH1A1TSHRCYP2D6KDM4E
SCHEMBL25418266 0.69 CYP2D6 (0.45) HSD17B10ALDH1A1TSHRCYP2D6KDM4E
SCHEMBL26907053 0.69 CYP2D6 (0.45) HSD17B10ALDH1A1TSHRCYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (1 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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B CYP2C19 1241/4885BLM 4693/4885PKM 4021/4885

“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.