SCHEMBL2772986

SCHEMBL2772986

[CH2]C(=O)N(c1ccccc1)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
NR3C1 P04150 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
AURKA O14965 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.37
PDPK1 O15530 1/20 0.37
GLA P06280 2/20 0.36
HDAC1 Q13547 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SCD O00767 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1896858 0.87 LMNA (0.53) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL1325354 0.84 LMNA (0.51) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL2772989 0.84 LMNA (0.51) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL27930079 0.83 LMNA (0.50) LMNAFFAR1FFAR4NPSR1TRPM8
SCHEMBL22187040 0.81 LMNA (0.46) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL665075 0.80 LMNA (0.48) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL28977221 0.80 LMNA (0.48) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL17439454 0.80 LMNA (0.48) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL1458950 0.80 LMNA (0.57) LMNAFFAR1FFAR4NPSR1NR3C1
SCHEMBL1143153 0.79 AURKA (0.51) LMNANPSR1NPC1RAB9AAURKA

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
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
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 EP disclosed
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 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
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 EP 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 LMNA 4141/4885FFAR1 3511/4885FFAR4 2983/4885
US-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 LMNA 4369/4885FFAR1 3721/4885FFAR4 2442/4885
US-20050032855-A1 Tetrahydro-2H-thiopyran-4-carboxamide derivative TPMT, RPL35, TYMP LMNA 4689/4885FFAR1 4128/4885FFAR4 3251/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 LMNA 4538/4885FFAR1 3712/4885FFAR4 3635/4885
US-20090042915-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR HERPESVIRUS-RELEATED DISEASE RECQL, DNA2, DHX35 LMNA 1226/4885FFAR1 4749/4885FFAR4 4858/4885
US-20090030049-A1 MEDICAMENT FOR GENITAL HERPES TK1, TYMP, RPL23 LMNA 4643/4885FFAR1 3791/4885FFAR4 2974/4885

“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.