SCHEMBL257361

SCHEMBL257361

Cc1cc(C(=O)c2cccc(F)c2)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 2/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
DAO P14920 1/20 0.47
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 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
SCHEMBL15100864 0.82 MEN1 (0.52) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL257364 0.82 ALDH1A1 (0.60) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL1258944 0.75 CES2 (0.74) CES2CES1MEN1KMT2APOLB
SCHEMBL10758410 0.73 CES2 (0.55) CES2CES1MEN1KMT2ATSHR
SCHEMBL2705684 0.73 CES2 (0.71) CES2CES1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL27733562 0.73 CES2 (0.71) CES2CES1MEN1KMT2APOLB
SCHEMBL806857 0.73 KCNK3 (0.64) CES2CES1MEN1KMT2ATSHR
SCHEMBL2484958 0.73 KMT2A (0.49) CES2CES1MEN1KMT2ATSHR
SCHEMBL14415761 0.72 CES2 (0.53) CES2CES1MEN1KMT2ATSHR
SCHEMBL9397130 0.72 POLB (0.54) CES2CES1MEN1KMT2ATSHR

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-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 CES2 420/4885CES1 811/4885MEN1 325/4885

“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.