SCHEMBL2369090

SCHEMBL2369090

NCc1ccc(S(=O)(=O)CCCC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.53
CA2 P00918 7/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MAPT P10636 1/20 0.46
PNMT P11086 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 5/20 0.38

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
SCHEMBL507984 0.90 PSIP1 (0.56) PSIP1CA2CA1CA9CA12
SCHEMBL8237313 0.82 PSIP1 (0.64) PSIP1CA2CA1CA9CA12
SCHEMBL10048831 0.79 L3MBTL1 (0.48) CA2CA1CA9CA12CA4
SCHEMBL18856899 0.79 ALDH1A1 (0.69) MAPTPNMTALDH1A1CYP3A4CYP2C9
SCHEMBL2831871 0.79 KEAP1 (0.47) PSIP1PNMTALDH1A1CYP3A4CYP2C9
SCHEMBL507798 0.78 CA2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL5593862 0.76 PSIP1 (0.67) PSIP1CA2CA1CA9CA12
SCHEMBL8234409 0.73 PSIP1 (0.58) PSIP1CA2CA1CA9CA12
SCHEMBL9352809 0.73 PSIP1 (0.62) PSIP1CA2CA1CA9CA12
SCHEMBL1145620 0.73 CA2 (0.66) PSIP1CA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PSIP1 1927/4885CA2 4662/4885CA1 4692/4885

“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.