SCHEMBL2240153

SCHEMBL2240153

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCS(=O)(=O)CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC8 Q9BY41 5/20 0.35
▸ HDAC6 Q9UBN7 5/20 0.35
▸ HDAC5 Q9UQL6 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ TP53 P04637 1/20 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
SCHEMBL2239299 0.94 HDAC1 (0.36) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2236865 0.93 HDAC1 (0.37) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2236768 0.91 GAA (0.36) ALDH1A1L3MBTL1KMT2AHDAC1HDAC8
SCHEMBL2239265 0.89 HDAC1 (0.39) ALDH1A1KMT2AHDAC1HDAC8HDAC6
SCHEMBL6011856 0.89 KMT2A (0.36) ALDH1A1L3MBTL1KMT2AMEN1USP2
SCHEMBL2236534 0.88 HDAC1 (0.38) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2238014 0.87 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP3A4KMT2AHDAC1
SCHEMBL2238051 0.86 HDAC1 (0.37) ALDH1A1L3MBTL1KMT2AHDAC1HDAC8
SCHEMBL2238684 0.86 CHRM1 (0.36) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL2238884 0.86 POLB (0.36) ALDH1A1L3MBTL1KMT2AHDAC1HDAC8

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 19 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-1844776-A1 AGENT FOR PREVENTION/TREATMENT OF DISEASE CAUSED BY ACYCLOVIR-RESISTANT HERPESVIRUS Astellas Pharma Inc. (JP) 2007-10-17 — — EP disclosed
EP-1844775-A1 THERAPEUTIC AGENT FOR HERPES PROGENITALIS 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
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 ALDH1A1 4318/4885L3MBTL1 206/4885CYP3A4 3984/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP ALDH1A1 4075/4885L3MBTL1 863/4885CYP3A4 814/4885
US-20110201659-A1 AGENT FOR PREVENTING OR TREATING ZOSTER-ASSOCIATED PAIN GAP43, TRPV1, ACHE ALDH1A1 4029/4885L3MBTL1 2840/4885CYP3A4 3875/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 ALDH1A1 4359/4885L3MBTL1 1170/4885CYP3A4 3522/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 ALDH1A1 2531/4885L3MBTL1 1740/4885CYP3A4 4293/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 ALDH1A1 3269/4885L3MBTL1 3792/4885CYP3A4 3950/4885

“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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