SCHEMBL18239088

SCHEMBL18239088

CC(C)c1nccc2ncsc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL14437963 0.74 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL19131125 0.72 SLC6A2 (0.31)
SCHEMBL17200301 0.69 AXL (0.48) ALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL9934613 0.69 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL16151425 0.69 ADORA2A (0.36) ALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL24469160 0.69 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL30278653 0.69 AXL (0.48) ALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL17591346 0.69 ADORA2A (0.34) ALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL12604059 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10
SCHEMBL17591352 0.69 PDE3B (0.37) ALDH1A1HSD17B10ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154426-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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 (4 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-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 ALDH1A1 742/4885HSD17B10 579/4885ADORA3 1038/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALDH1A1 2151/4885HSD17B10 3435/4885ADORA3 4145/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 ALDH1A1 1079/4885HSD17B10 1212/4885ADORA3 635/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALDH1A1 2151/4885HSD17B10 3435/4885ADORA3 4145/4885

“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.