SCHEMBL3020987

SCHEMBL3020987

COc1cc(-c2csc(N3CCC(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 6/20 0.45
RECQL P46063 2/20 0.45
USP2 O75604 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 7/20 0.42
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 3/20 0.42
AR P10275 3/20 0.40
G6PD P11413 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NTSR1 P30989 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3019595 0.92 ALDH1A1 (0.54) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3001728 0.91 SMN1; SMN2 (0.53) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3008345 0.90 MAPK1 (0.56) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3018971 0.90 MAPT (0.52) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3015734 0.88 MAPK1 (0.56) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3017534 0.88 MAPK1 (0.58) ALDH1A1MAPK1GAAMAPTRECQL
SCHEMBL3014639 0.88 SMN1; SMN2 (0.48) ALDH1A1MAPK1MAPTRECQLUSP2
SCHEMBL3022821 0.88 SMN1; SMN2 (0.51) ALDH1A1MAPK1MAPTRECQLUSP2
SCHEMBL3016975 0.88 SMN1; SMN2 (0.54) ALDH1A1MAPK1MAPTRECQLUSP2
SCHEMBL3016310 0.88 ALDH1A1 (0.53) ALDH1A1MAPK1GAAMAPTRECQL

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 ALDH1A1 3510/4885MAPK1 2767/4885GAA 110/4885

“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.