SCHEMBL2997801

SCHEMBL2997801

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
AVPR1B P47901 5/20 0.38
OXTR P30559 4/20 0.38
AVPR1A P37288 4/20 0.38
MAPT P10636 2/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR7 P34969 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL3014057 0.93 MAPT (0.37) SMN1; SMN2RAB9AMAPTUSP2RECQL
SCHEMBL3013116 0.92 MAPT (0.39) SMN1; SMN2RAB9ASCN1ASCN8AAVPR1B
SCHEMBL3011356 0.91 MAPT (0.39) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL3001740 0.91 MAPT (0.42) SCN1ASCN8AMAPTUSP2RECQL
SCHEMBL3003868 0.90 BMP1 (0.40) SMN1; SMN2RAB9AMAPTPOLBLMNA
SCHEMBL3013134 0.90 RAB9A (0.41) SMN1; SMN2RAB9AAVPR1BOXTRAVPR1A
SCHEMBL3002254 0.90 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AAVPR1BOXTRAVPR1A
SCHEMBL3016660 0.90 GBA1 (0.38) SMN1; SMN2RAB9ASCN1ASCN8AMAPT
SCHEMBL3010484 0.90 THRB (0.42) SMN1; SMN2HTR7LMNAALDH1A1L3MBTL1
SCHEMBL3017117 0.90 MAPT (0.38) SMN1; SMN2RAB9AMAPTMMP9POLB

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 SMN1; SMN2 1/4885RAB9A 2943/4885SCN1A 185/4885

“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.