SCHEMBL3017982

SCHEMBL3017982

CC(C)c1cc(C(C)C)c(S(=O)(=O)C2CCN(c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2)c(C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
SMN1; SMN2 Q16637 10/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABL1 P00519 2/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3009361 0.92 AR (0.42) ARSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3003088 0.92 AR (0.42) ARSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3002616 0.91 MAPT (0.51) SMN1; SMN2RAB9ANPC1MAPTCYP1A2
SCHEMBL3014309 0.89 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1MAPTCYP1A2
SCHEMBL3012592 0.88 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MAPTCYP1A2
SCHEMBL3017646 0.88 SMN1; SMN2 (0.53) ARSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3012873 0.87 MAPK1 (0.42) ARSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3019653 0.87 MAPK1 (0.52) ARSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3018623 0.86 AR (0.53) ARSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3018661 0.86 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPTMAPK1

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 AR 3801/4885SMN1; SMN2 1/4885RAB9A 2943/4885

“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.