SCHEMBL3017174

SCHEMBL3017174

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(CBr)cc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AVPR1B P47901 11/20 0.40
OXTR P30559 7/20 0.40
AVPR1A P37288 7/20 0.40
MAPT P10636 2/20 0.39
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3017369 0.93 RAB9A (0.36) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A
SCHEMBL3006471 0.93 RAB9A (0.41) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A
SCHEMBL3014356 0.91 RAB9A (0.41) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A
SCHEMBL3016548 0.91 KMT2A (0.38) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A
SCHEMBL3002254 0.91 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A
SCHEMBL3016039 0.91 MAPT (0.46) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A
SCHEMBL3010946 0.90 MAPT (0.41) SMN1; SMN2MAPTTP53ALDH1A1LMNA
SCHEMBL3015039 0.89 GBA1 (0.42) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL3013175 0.89 HRH3 (0.34) SMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL3014690 0.89 HSD11B1 (0.41) RAB9ASMN1; SMN2AVPR1BOXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA RAB9A 2943/4885SMN1; SMN2 1/4885AVPR1B 4478/4885

“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.