SCHEMBL1710642

SCHEMBL1710642

CCCC(CCC)NS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.47
HSD17B2 P37059 1/20 0.44
CTSL P07711 5/20 0.43
CTSK P43235 5/20 0.43
CTSS P25774 4/20 0.43
CTSC P53634 3/20 0.43
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
CTSB P07858 1/20 0.42
PGR P06401 1/20 0.42
KAT6A Q92794 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BRD4 O60885 1/20 0.41
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13189066 0.81 ATM (0.52) ATMHSD17B2CTSLCTSKCTSS
SCHEMBL3917234 0.81 CA12 (0.53) SMN1; SMN2CA12CA2CA9
SCHEMBL27821808 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CA12CA2CA9
SCHEMBL265556 0.79 HSD17B2 (0.49) ATMHSD17B2CTSLCTSKCTSS
SCHEMBL19156888 0.77 KMT2A (0.42) SMN1; SMN2CA12CA2CA9KMT2A
SCHEMBL17396995 0.76 ATM (0.40) SMN1; SMN2ATMHSD17B2CTSLCTSK
SCHEMBL3386980 0.76 ATM (0.66) ATMHSD17B2KAT6ACA12CA2
SCHEMBL17513498 0.76 ATM (0.60) SMN1; SMN2ATMHSD17B2EDNRBEDNRA
SCHEMBL1710532 0.75 HTR6 (0.51) SMN1; SMN2KAT6ACA12CA2CA9
SCHEMBL19518688 0.75 MMP2 (0.48) SMN1; SMN2CTSLCTSSCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 SMN1; SMN2 129/4885ATM 1621/4885HSD17B2 1228/4885

“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.