SCHEMBL2815306

SCHEMBL2815306

Cc1cccc(C)c1N(CC(=O)O)C(=O)C1CCS(=O)(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ OPRM1 P35372 4/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A9 P48067 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL2815309 0.90 HTT (0.39) HTTOPRM1SCN4AP2RX7CCR5
SCHEMBL28459274 0.85 GAA (0.36) HTTOPRM1MEN1LMNAMAPT
SCHEMBL21769890 0.84 HTT (0.36) HTTOPRM1SCN4AGLASMN1; SMN2
SCHEMBL2773909 0.80 CNR2 (0.45) HTTSMN1; SMN2NPSR1NR1H4ALDH1A1
SCHEMBL28453946 0.78 KDM4E (0.39) HTTGLASMN1; SMN2MEN1LMNA
SCHEMBL14000159 0.75 MAPT (0.37) HTTSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6170917 0.74 KEAP1 (0.43) HTTOPRM1SMN1; SMN2LMNAMAPT
SCHEMBL14000191 0.74 SLC6A9 (0.43) SLC6A9
SCHEMBL21769856 0.72 L3MBTL1 (0.38) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL29031636 0.71 CNR2 (0.49) HTTOPRM1SCN4ASMN1; SMN2P2RX7

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
CN-108623577-B Preparation method of amonebvir and intermediate thereof 山东百诺医药股份有限公司 2020-09-25 — — CN 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 (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 HTT 4097/4885OPRM1 3991/4885SCN4A 796/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP HTT 2375/4885OPRM1 2830/4885SCN4A 851/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 HTT 4097/4885OPRM1 3196/4885SCN4A 534/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 HTT 1621/4885OPRM1 4827/4885SCN4A 3884/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 HTT 4840/4885OPRM1 3302/4885SCN4A 2529/4885

“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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