SCHEMBL507412

SCHEMBL507412

CC(C)(C)S(=O)(=O)CCc1ccc(C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
CA2 P00918 4/20 0.42
PARP10 Q53GL7 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 4/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP17A1 P05093 1/20 0.38
MAOB P27338 1/20 0.38
PARP1 P09874 1/20 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
SCHEMBL2720492 0.85 PLA2G10 (0.44) EPHX2NR1H4PLA2G10PLA2G2ACA2
SCHEMBL6609112 0.80 EPHX2 (0.44) EPHX2NR1H4PLA2G10PLA2G2ACA2
SCHEMBL507414 0.79 PSIP1 (0.46) CA2KDM4ESMN1; SMN2CA1CA12
SCHEMBL27804763 0.79 PLA2G10 (0.48) PLA2G10PLA2G2ACA2PARP10KMT2A
SCHEMBL6608511 0.79 RECQL (0.58) PLA2G10PLA2G2ACA2PARP10KMT2A
SCHEMBL3090366 0.79 RECQL (0.58) CA2CA1CA12CA9CA14
SCHEMBL19002687 0.74 CA2 (0.48) CA2MEN1KMT2AKDM4ECA1
SCHEMBL507413 0.74 DPP4 (0.43) PLA2G10PLA2G2ACA2PARP10MEN1
SCHEMBL5832015 0.74 EPHX2 (0.47) EPHX2NR1H4PLA2G10PLA2G2ACA2
SCHEMBL14770119 0.72 CA12 (0.50) CA2SMN1; SMN2CA1CA12CA9

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 EPHX2 1418/4885NR1H4 240/4885PLA2G10 4045/4885

“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.