SCHEMBL2773909

SCHEMBL2773909

Cc1ccc(N(CC(=O)O)C(=O)C2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGIR P43119 1/20 0.35

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
SCHEMBL6170917 0.86 KEAP1 (0.43) HTTKEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL2815306 0.80 HTT (0.39) HTTSMN1; SMN2NR1H4ALDH1A1NPSR1
SCHEMBL9716647 0.75 HTT (0.74) HTTSMN1; SMN2NR1H4ALDH1A1
SCHEMBL13928712 0.71 L3MBTL1 (0.38) POLBALDH1A1
SCHEMBL8296567 0.71 CNR1 (0.40) CNR2CNR1HTTKEAP1NFE2L2
SCHEMBL10537885 0.71 KEAP1 (0.51) KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL157266 0.71 HTT (0.63) CNR2CNR1HTTSMN1; SMN2NR1H4
SCHEMBL13928709 0.70 GAA (0.56) POLBALDH1A1GAA
SCHEMBL6176749 0.70 CHRM5 (0.51) KEAP1NFE2L2GAAPTGIR
SCHEMBL14174832 0.70 HTT (0.61) CNR2CNR1HTTNR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857108-B1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELATED DISEASE ASTELLAS PHARMA INC (JP) 2010-12-08 — — EP disclosed
EP-1844775-B1 THERAPEUTIC AGENT FOR THE TREATMENT OF HERPES PROGENITALIS AFTER DEVELOPMENT OF LESIONS ASTELLAS PHARMA INC (JP) 2010-08-11 — — EP disclosed
EP-1844776-B1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ASTELLAS PHARMA INC (JP) 2010-04-28 — — EP disclosed
US-20090048310-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ASTELLAS PHARMA INC. (JP) 2009-02-19 — — US disclosed
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE ASTELLAS PHARMA INC. (JP) 2009-02-12 — — US disclosed
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES ASTELLAS PHARMA INC. (JP) 2009-01-29 — — US disclosed
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
EP-1857108-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELATED DISEASE Astellas Pharma Inc. (JP) 2007-11-21 — — EP disclosed
EP-1844775-A1 THERAPEUTIC AGENT FOR HERPES PROGENITALIS Astellas Pharma Inc. (JP) 2007-10-17 — — EP disclosed
EP-1844776-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS Astellas Pharma Inc. (JP) 2007-10-17 — — EP disclosed
US-20060229295-A1 Amide derivatives ASTELLAS PHARMA INC.AND RATIONAL DRUG DESIGN (JP) 2006-10-12 — — US disclosed
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 — — EP disclosed
US-6903125-B2 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 — — US disclosed
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-02-10 — — 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 (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-20090048310-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS ZC3HAV1, ZC3HAV1L, GRIK2 CNR2 1522/4885CNR1 2675/4885HTT 4097/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP CNR2 1177/4885CNR1 2178/4885HTT 2375/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 CNR2 2172/4885CNR1 3009/4885HTT 4097/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 CNR2 4855/4885CNR1 4812/4885HTT 1621/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 CNR2 608/4885CNR1 974/4885HTT 4840/4885

“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.

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