SCHEMBL2236865

SCHEMBL2236865

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCS(=O)(=O)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.37
▸ HDAC8 Q9BY41 8/20 0.37
▸ HDAC6 Q9UBN7 8/20 0.37
▸ HDAC5 Q9UQL6 6/20 0.37
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CHRM1 P11229 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
SCHEMBL2240153 0.93 ALDH1A1 (0.39) HDAC1HDAC8HDAC6HDAC5RAB9A
SCHEMBL2236534 0.92 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL2239299 0.90 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5LMNA
SCHEMBL6011888 0.90 LMNA (0.34) LMNARAB9AALDH1A1L3MBTL1MAPT
SCHEMBL2236768 0.88 GAA (0.36) HDAC1HDAC8HDAC6HDAC5LMNA
SCHEMBL2239265 0.87 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5RAB9A
SCHEMBL2234755 0.86 HDAC1 (0.35) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL2237823 0.86 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5ALDH1A1
SCHEMBL2238018 0.86 HDAC1 (0.34) HDAC1HDAC8HDAC6HDAC5RAB9A
SCHEMBL2238014 0.85 ALDH1A1 (0.36) HDAC1HDAC8HDAC6HDAC5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN ASTELLAS PHARMA INC. (JP) 2011-08-18 — — US claimed
US-6903125-B2 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 — — US claimed
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-02-10 — — US claimed
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN ASTELLAS PHARMA INC. (JP) 2011-08-18 — — US disclosed
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 (6 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 HDAC1 6/4885HDAC8 12/4885HDAC6 758/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP HDAC1 39/4885HDAC8 32/4885HDAC6 1368/4885
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN GAP43, TRPV1, ACHE HDAC1 1277/4885HDAC8 1199/4885HDAC6 771/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 HDAC1 7/4885HDAC8 2/4885HDAC6 364/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 HDAC1 243/4885HDAC8 291/4885HDAC6 548/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 HDAC1 261/4885HDAC8 117/4885HDAC6 1338/4885

“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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