SCHEMBL15215286

SCHEMBL15215286

Cc1cccc(C(=O)SCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GPR52 Q9Y2T5 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 3/20 0.47
PARP1 P09874 1/20 0.47
VNN1 O95497 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
Tibenzate SCHEMBL2110094 0.82 IDO1 (0.52) SMN1; SMN2L3MBTL1HDAC8HDAC6HDAC3
SCHEMBL27779772 0.81 IDO1 (0.51) RAB9ANPC1L3MBTL1PARP1VNN1
SCHEMBL10056661 0.80 CES2 (0.54) RAB9ANPC1SMN1; SMN2GPR52PARP1
SCHEMBL778106 0.80 HPGD (0.54) RAB9ANPC1SMN1; SMN2POLBPARP1
SCHEMBL28460668 0.79 IDO1 (0.52) L3MBTL1HDAC8HDAC6HDAC3HDAC4
SCHEMBL11846947 0.78 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GPR52L3MBTL1
SCHEMBL19789045 0.76 TAAR1 (0.47) RAB9ANPC1TAAR1SMN1; SMN2GPR52
SCHEMBL10636225 0.75 PARP1 (0.45) RAB9ANPC1SMN1; SMN2POLBPARP1
SCHEMBL779316 0.75 PARP1 (0.61) RAB9ANPC1SMN1; SMN2POLBPARP1
SCHEMBL778234 0.75 PARP1 (0.61) RAB9ANPC1SMN1; SMN2POLBPARP1

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-9448212-B2 Method for the detection of sulphur containing phosphorylating agents UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-09-20 US disclosed
US-20130224873-A1 METHOD AND DEVICE FOR THE DETECTION OF SULPHUR CONTAINING SPECIES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED 2013-08-29 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-20130224873-A1 METHOD AND DEVICE FOR THE DETECTION OF SULPHUR CONTAINING SPECIES TST, MPST, SPR RAB9A 3977/4885NPC1 4405/4885TAAR1 2651/4885

“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.