SCHEMBL6513643

SCHEMBL6513643

C#Cc1ccc(CS)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.46
HDAC8 Q9BY41 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
FFAR1 O14842 1/20 0.33
KEAP1 Q14145 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP2A6 P11509 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL21514041 0.84 ALDH1A1 (0.36) IDO1FFAR1
SCHEMBL5179689 0.78 HDAC8 (0.43) HDAC8CA12CA1CA2CA4
SCHEMBL3840593 0.78 HDAC8 (0.43) HDAC8CA12CA1CA2CA4
SCHEMBL127369 0.76 IDO1 (0.69) IDO1LOXL2
SCHEMBL28871 0.76 HDAC8 (0.59) HDAC8CA12CA1CA2CA4
SCHEMBL23091413 0.74 IDO1 (0.46) IDO1FFAR1CYP2A6LOXL2
SCHEMBL935811 0.74 CYP2A6 (0.58) HDAC8CA12CA1CA2CA4
SCHEMBL1253137 0.74 TRPA1 (0.43) HDAC8CA12CA1CA2CA4
SCHEMBL720296 0.74 HDAC8 (0.40) HDAC8CA12CA1CA2CA4
SCHEMBL19437245 0.74 HDAC8 (0.40) HDAC8CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759457-B2 Weather and soiling-resistant silicone-containing coating composition SHINETSU CHEMICAL CO (JP) 2004-06-16 EP claimed
EP-0759457-B1 Weather and soiling-resistant silicone-containing coating composition SHINETSU CHEMICAL CO (JP) 2001-06-13 EP claimed
US-12613191-B2 Multiplexed Raman molecular imaging UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2026-04-28 US disclosed
US-20240085335-A1 MULTIPLEXED RAMAN MOLECULAR IMAGING UNIVERSITY OF SOUTHERN CALIFORNIA 2024-03-14 US disclosed
WO-2022157674-A1 MULTIPLEXED RAMAN MOLECULAR IMAGING UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2022-07-28 WO disclosed
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 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-12613191-B2 Multiplexed Raman molecular imaging FABP1, SCNN1G, VIL1 IDO1 2635/4885HDAC8 4601/4885CA12 151/4885

“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.