SCHEMBL3097177

SCHEMBL3097177

CC(C)N(C(=O)C(Cc1cccc(Cl)c1)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
MDM2 Q00987 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL3097186 1.00 CTSV (0.37) CTSVCTSLCTSBCTSSCTSK
SCHEMBL3093154 0.92 OPRM1 (0.40) KMT2APKMHTTMEN1POLB
SCHEMBL3093147 0.92 OPRM1 (0.40) KMT2APKMHTTMEN1POLB
SCHEMBL3103817 0.89 KMT2A (0.42) KMT2APKMHTTMEN1POLB
SCHEMBL3103813 0.89 KMT2A (0.42) KMT2APKMHTTMEN1POLB
SCHEMBL3091586 0.88 CYP3A4 (0.40) CTSLKMT2APKMMDM2PTGES2
SCHEMBL3091579 0.88 CYP3A4 (0.40) CTSLKMT2APKMMDM2PTGES2
SCHEMBL3086124 0.88 CNR1 (0.43) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL3086128 0.88 CNR1 (0.43) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL3078553 0.83 CNR1 (0.41) KMT2APKMHTTMEN1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 CTSV 3253/4885CTSL 2869/4885CTSB 2516/4885

“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.