SCHEMBL1532333

SCHEMBL1532333

O=C(O)Nc1ccc(S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NMT1 P30419 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
NAPRT Q6XQN6 1/20 0.39

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
SCHEMBL10778839 0.87 SMN1; SMN2 (0.52) TDP1SMN1; SMN2TP53EPHX1TSHR
Hydrochloric Acid SCHEMBL11405284 0.84 SMN1; SMN2 (0.50) TDP1SMN1; SMN2TP53EPHX1TSHR
SCHEMBL12973520 0.79 SMN1; SMN2 (0.74) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11593321 0.79 SMN1; SMN2 (0.67) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL28386018 0.79 SMN1; SMN2 (0.61) TDP1SMN1; SMN2TP53EPHX1TSHR
SCHEMBL272215 0.78 SMN1; SMN2 (0.67) TDP1SMN1; SMN2TSHRPOLBMAPT
SCHEMBL2235161 0.78 PEPD (0.64) MAPTRAB9ANPC1HSD17B10GAA
SCHEMBL6832116 0.78 POLB (0.50) POLBMAPTRAB9ANPC1
SCHEMBL612152 0.77 MAOA (0.64) TP53TSHRMAPTRAB9ANPC1
SCHEMBL455439 0.77 TDP1 (0.70) TDP1SMN1; SMN2POLBMAPTRAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-RE47690-E1 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-11-05 US disclosed
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-02-15 US disclosed
US-9840520-B2 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-12-12 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
EP-3142652-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF The Regents of the University of Colorado, a body corporate (US) 2017-03-22 EP disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
WO-2015175813-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-19 WO disclosed
EP-2478361-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS Avila Therapeutics, Inc. (US) 2012-07-25 EP disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed
EP-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed
WO-2004065369-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-08-05 WO disclosed
US-5236944-A C1-4 alkyl(4-(2-(4-C1-4-alkylphenyl)-2(1H-imidazol-1-ylmethyl) -1,3-dioxolan-4-ylemthlthio)phenyl)carbamate JANSSEN PHARMACEUTICA N.V. (BE) 1993-08-17 US disclosed
EP-0335446-A2 Agents for treating neoplasms JANSSEN PHARMACEUTICA N.V. (BE) 1989-10-04 EP disclosed
US-4490540-A FUNGICIDES, ANTITUMOR AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0052905-B1 NOVEL (2-ARYL-4-PHENYLTHIOALKYL-1,3-DIOXOLAN-2-YL-METHYL)AZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-03 EP disclosed
EP-0052905-A1 Novel (2-aryl-4-phenylthioalkyl-1,3-dioxolan-2-yl-methyl)azole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1982-06-02 EP 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 (5 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK TDP1 1864/4885SMN1; SMN2 4778/4885TP53 663/4885
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 TDP1 541/4885SMN1; SMN2 2537/4885TP53 2176/4885
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 TDP1 541/4885SMN1; SMN2 2537/4885TP53 2176/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR TDP1 2753/4885SMN1; SMN2 4842/4885TP53 699/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK TDP1 1864/4885SMN1; SMN2 4778/4885TP53 663/4885

“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.