SCHEMBL507798

SCHEMBL507798

NC(=O)c1ccc(S(=O)(=O)CCCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP1 P03956 1/20 0.39
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HSD11B1 P28845 2/20 0.37
ESR1 P03372 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
SCHEMBL2369090 0.78 PSIP1 (0.53) CA2CA12CA1CA9CA14
SCHEMBL18856899 0.77 ALDH1A1 (0.69) PNMTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10048831 0.77 L3MBTL1 (0.48) CA2CA12CA1CA9CA14
SCHEMBL2831871 0.76 KEAP1 (0.47) PNMTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2027641 0.75 CA2 (0.55) CA2CA12CA1CA9CA14
SCHEMBL11329395 0.73 CA2 (0.45) CA2CA12CA1CA9CA14
SCHEMBL4639123 0.72 CA2 (0.61) CA2CA12CA1CA9CA14
SCHEMBL30526911 0.71 PARP10 (0.60) ALDH1A1KMT2A
SCHEMBL2788803 0.71 CA2 (0.59) CA2CA12CA1CA9CA14
SCHEMBL6011550 0.71 CA2 (0.42) CA2CA12CA1CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CA2 4846/4885CA12 4805/4885CA1 4820/4885

“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.