SCHEMBL5659205

SCHEMBL5659205

CS(=O)(=O)OCCc1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
DPP4 P27487 1/20 0.43
SLC6A2 P23975 7/20 0.42
CYP2D6 P10635 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL1960375 0.84 KDM4E (0.46) CYP2D6CA1CA2CA9CA12
SCHEMBL2061401 0.79 KDM4E (0.39) PTGS2CYP2D6CA1CA2CA9
SCHEMBL4852971 0.79 TAAR1 (0.46) PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL6259366 0.79 CD274 (0.40) PTGS2DPP4SLC6A2CYP2D6SLC6A4
SCHEMBL11494206 0.79 CHRNB2 (0.48) KMT2AFOLH1
Benzene SCHEMBL27441781 0.78 CA1 (0.40) CA1CA2CA9CA12CA14
SCHEMBL3589537 0.77 TAAR1 (0.47) PTGS2KMT2ACA1CA2CA9
SCHEMBL3895747 0.77 LTA4H (0.50) PTGS2DPP4KMT2APTGER1PTGER4
SCHEMBL792179 0.77 DPP4 (0.50) DPP4KMT2AFOLH1PTGER1PTGER4
SCHEMBL3128402 0.76 TAAR1 (0.47) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 PTGS2 2401/4885DPP4 3771/4885SLC6A2 1499/4885

“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.