SCHEMBL15980591

SCHEMBL15980591

CC(C)c1nccc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.41
ADORA1 P30542 6/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 3/20 0.41
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
CYP2A6 P11509 1/20 0.32
DRD1 P21728 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL20594672 0.81 HSD17B10 (0.34) ADORA2AADORA1ADORA3ADORA2BHSD17B10
SCHEMBL368657 0.74 CYP2A6 (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL27405454 0.73 PDE4B (0.40) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL24175501 0.72 ADORA3 (0.33) ADORA2AADORA1ADORA3ADORA2BNOS1
SCHEMBL18239086 0.72 ADORA3 (0.33) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL15980639 0.72 ADORA3 (0.33) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL14090690 0.71 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BTSHR
SCHEMBL21230321 0.70 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17344791 0.70 ADORA3 (0.36) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL27010731 0.70 MAOA (0.33) MAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 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
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
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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 (8 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 ADORA2A 1247/4885ADORA1 965/4885ADORA3 1038/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA2A 4582/4885ADORA1 4484/4885ADORA3 4145/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 ADORA2A 4158/4885ADORA1 3990/4885ADORA3 4085/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 ADORA2A 728/4885ADORA1 372/4885ADORA3 635/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA2A 4582/4885ADORA1 4484/4885ADORA3 4145/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 ADORA2A 3909/4885ADORA1 3776/4885ADORA3 3876/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA2A 4582/4885ADORA1 4484/4885ADORA3 4145/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK ADORA2A 2333/4885ADORA1 2454/4885ADORA3 3045/4885

“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.