SCHEMBL4351827

SCHEMBL4351827

CN(Cc1ccc(N)cc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
APLNR P35414 1/20 0.42
RECQL P46063 1/20 0.41
GRIA2 P42262 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GFER P55789 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4624980 0.82 MAPT (0.44) MAPTAPLNRRECQLGAAALDH1A1
SCHEMBL12188926 0.82 HPGD (0.47) APLNRGRIA2ALDH1A1CA2USP2
SCHEMBL10192138 0.82 ALDH1A1 (0.49) MAPTAPLNRGRIA2GAAALDH1A1
SCHEMBL14132725 0.81 PYCR1 (0.49) APLNRGRIA2TSHRSMN1; SMN2LMNA
SCHEMBL19563399 0.80 PYCR1 (0.46) APLNRGRIA2ALDH1A1USP2SMN1; SMN2
SCHEMBL7230524 0.80 CA1 (0.44) APLNRGRIA2ALDH1A1TSHRCA1
SCHEMBL14297420 0.80 TSHR (0.50) APLNRGRIA2ALDH1A1TSHRTDP1
SCHEMBL8484369 0.80 APLNR (0.42) APLNRGRIA2ALDH1A1TSHRUSP2
SCHEMBL2057187 0.79 ALDH1A1 (0.54) MAPTALDH1A1TSHRCA2CA9
SCHEMBL17560581 0.78 HSD11B1 (0.45) ALDH1A1TSHRTDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
WO-2009137733-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 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 (1 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-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 MAPT 2734/4885APLNR 1822/4885RECQL 1565/4885

“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.