SCHEMBL2455339

SCHEMBL2455339

O=C(OC(=O)C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ELANE P08246 1/20 0.41
PKM P14618 1/20 0.40
SRD5A2 P31213 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 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
SCHEMBL28093052 0.90 CES1 (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1CES2
SCHEMBL8370038 0.82 TSHR (0.48) SMN1; SMN2CES2CES1ALOX15TSHR
SCHEMBL28775846 0.81 CES2 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1CES2
SCHEMBL247590 0.81 CES2 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1CES2
SCHEMBL271808 0.80 CES1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1CES2
SCHEMBL5672271 0.79 PARP1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1ALOX15
SCHEMBL28286804 0.78 CES1 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1CES2
SCHEMBL27658519 0.78 PDCD1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1CES1
SCHEMBL28343283 0.77 CES2 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1CES2
SCHEMBL28101508 0.77 HSD17B10 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017628-B2 Pharmaceutically active sulfonyl hydrazide derivatives MERCK SERONO S.A. (CH) 2011-09-13 US disclosed
US-20090005426-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-01-01 US disclosed
US-7432286-B1 Pharmaceutically active sulfonyl hydrazide derivatives LABORATORIES SERONO SA (CH) 2008-10-07 US disclosed
EP-1216245-B1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2004-05-26 EP disclosed
EP-1216245-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-06-26 EP disclosed
WO-2001023382-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed
EP-1088822-A1 Pharmaceutically active sulfonyl hydrazide derivatives Applied Research Systems ARS Holding N.V. (AN) 2001-04-04 EP 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-20090005426-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES SLC5A1, SLC5A2, IAPP NPC1 1482/4885RAB9A 520/4885SMN1; SMN2 103/4885

“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.