SCHEMBL2238884

SCHEMBL2238884

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCS(=O)(=O)CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ KCNJ6 P48051 2/20 0.34
▸ KCNJ5 P48544 2/20 0.34
▸ KCNJ3 P48549 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL2238018 0.92 HDAC1 (0.34) GAAMAPTHTTALDH1A1HPGD
SCHEMBL2238051 0.91 HDAC1 (0.37) POLBGAAMAPTALDH1A1HPGD
SCHEMBL2236768 0.88 GAA (0.36) GAAMAPTHTTALDH1A1HPGD
SCHEMBL2234755 0.87 HDAC1 (0.35) ALDH1A1CHRM1L3MBTL1HDAC1HDAC8
SCHEMBL2239265 0.87 HDAC1 (0.39) POLBMAPTALDH1A1HPGDKDM4E
SCHEMBL2240153 0.86 ALDH1A1 (0.39) POLBGAAMAPTALDH1A1NPC1
SCHEMBL2238684 0.86 CHRM1 (0.36) ALDH1A1NPC1RAB9ACHRM1L3MBTL1
SCHEMBL2242794 0.85 POLB (0.36) POLBGAAMAPTALDH1A1HPGD
SCHEMBL2239299 0.85 HDAC1 (0.36) POLBMAPTALDH1A1SMN1; SMN2CHRM1
SCHEMBL2236865 0.84 HDAC1 (0.37) MAPTALDH1A1RAB9ACHRM1L3MBTL1

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 20 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
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 — — EP 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-2351565-A1 MEDICINE FOR PREVENTING OR TREATING PAIN RELATED TO HERPES ZOSTER Astellas Pharma Inc. (JP) 2011-08-03 — — EP 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 POLB 2769/4885GAA 1171/4885MAPT 2986/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP POLB 3037/4885GAA 3311/4885MAPT 1656/4885
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN GAP43, TRPV1, ACHE POLB 3170/4885GAA 2860/4885MAPT 1094/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 POLB 2520/4885GAA 2221/4885MAPT 2138/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 POLB 31/4885GAA 272/4885MAPT 2327/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 POLB 1991/4885GAA 1262/4885MAPT 4365/4885

“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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