SCHEMBL507413

SCHEMBL507413

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.43
RORC P51449 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PARP10 Q53GL7 5/20 0.40
CA2 P00918 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL2369486 0.80 PSIP1 (0.43) CA2MMP12MMP13KDM4ESMN1; SMN2
SCHEMBL3090369 0.80 RECQL (0.55) CA2MMP12MMP13
SCHEMBL27804763 0.76 PLA2G10 (0.48) DPP4PLA2G10PLA2G2APARP10CA2
SCHEMBL8293310 0.76 DPP4 (0.56) DPP4RORCPLA2G10PLA2G2APARP10
SCHEMBL6608511 0.76 RECQL (0.58) DPP4PLA2G10PLA2G2APARP10CA2
Ammonia Solution, Strong SCHEMBL11119550 0.75 DPP4 (0.55) DPP4RORCPLA2G10PLA2G2APARP10
SCHEMBL507412 0.74 EPHX2 (0.44) DPP4RORCPLA2G10PLA2G2APARP10
SCHEMBL4874566 0.73 CA2 (0.53) RORCPARP10CA2HSD17B10NPC1
SCHEMBL2720492 0.72 PLA2G10 (0.44) DPP4PLA2G10PLA2G2APARP10CA2
SCHEMBL105246 0.72 EPHX1 (0.61) PLA2G10PLA2G2APARP10PDE4A

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 DPP4 634/4885RORC 783/4885PLA2G10 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.