SCHEMBL12026652

SCHEMBL12026652

CC(C)c1ccc2sc(=O)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.47
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP19A1 P11511 1/20 0.40
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
NR1H3 Q13133 1/20 0.36
RNASEH1 O60930 1/20 0.36
NPC1 O15118 1/20 0.36
SCN4A P35499 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CREBBP Q92793 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.35
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34

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
SCHEMBL8259234 0.86 CYP19A1 (0.52) GPR55TP53RXFP1CYP19A1PARP15
SCHEMBL17807765 0.83 CNR2 (0.41) GPR55TP53RXFP1PARP15PARP10
SCHEMBL23507954 0.79 TMEM97 (0.38) TP53PARP15PARP10TNKS2PARP2
SCHEMBL9886026 0.77 CYP2A6 (0.44) GPR55TP53CYP19A1PARP15PARP10
SCHEMBL21991380 0.76 RAB9A (0.45) TP53NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4199934 0.75 TMEM97 (0.52) GPR55TP53RAB9ASIGMAR1MAPT
SCHEMBL19657871 0.75 GPR55 (0.38) GPR55TP53CYP19A1CREBBPSIGMAR1
SCHEMBL19644301 0.75 SIGMAR1 (0.47) GPR55RXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL14726178 0.75 BRPF1 (0.43) GPR55CYP19A1NPC1SMN1; SMN2CREBBP
SCHEMBL14112013 0.75 GPR55 (0.38) GPR55TP53CYP19A1CREBBPSIGMAR1

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-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2020-09-15 US disclosed
EP-3323814-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2020-05-13 EP disclosed
US-10392377-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2019-08-27 US disclosed
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2019-04-25 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20170197952-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2017-07-13 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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 (10 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-20170197952-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 GPR55 412/4885TP53 4784/4885RXFP1 983/4885
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A GPR55 1966/4885TP53 4835/4885RXFP1 1976/4885
US-10392377-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 GPR55 187/4885TP53 4774/4885RXFP1 1731/4885
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 GPR55 412/4885TP53 4792/4885RXFP1 1009/4885
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 GPR55 3828/4885TP53 4784/4885RXFP1 2193/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 GPR55 1615/4885TP53 2338/4885RXFP1 703/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 GPR55 1594/4885TP53 2245/4885RXFP1 683/4885
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 GPR55 187/4885TP53 4774/4885RXFP1 1731/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A GPR55 1966/4885TP53 4835/4885RXFP1 1976/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A GPR55 1966/4885TP53 4835/4885RXFP1 1976/4885

“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.