SCHEMBL3018320

SCHEMBL3018320

COc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.55
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.47
GBA1 P04062 1/20 0.47
GFER P55789 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 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
SCHEMBL3019066 0.92 AR (0.54) ARMAPTHSD17B10USP2RECQL
SCHEMBL3013515 0.90 MAPT (0.56) ARMAPTHSD17B10USP2RECQL
SCHEMBL3014610 0.90 AR (0.57) ARMAPTHSD17B10USP2RECQL
SCHEMBL3008112 0.90 AR (0.54) ARMAPTHSD17B10USP2RECQL
SCHEMBL3010835 0.89 ALDH1A1 (0.55) ARMAPTHSD17B10USP2RECQL
SCHEMBL2998629 0.87 MEN1 (0.62) ARMAPTHSD17B10USP2RECQL
SCHEMBL3016396 0.86 MAPT (0.68) ARMAPTHSD17B10USP2RECQL
SCHEMBL3017214 0.86 MAPT (0.56) ARMAPTHSD17B10USP2RECQL
SCHEMBL3017063 0.86 MAPT (0.58) ARMAPTHSD17B10USP2RECQL
SCHEMBL3008901 0.86 MAPT (0.55) ARMAPTHSD17B10USP2RECQL

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-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US 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 (3 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA AR 3801/4885MAPT 18/4885HSD17B10 2553/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 AR 4397/4885MAPT 4643/4885HSD17B10 934/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 AR 4397/4885MAPT 4643/4885HSD17B10 934/4885

“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.