SCHEMBL3093425

SCHEMBL3093425

CC(C)N(C(=O)C(CC1CC1)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
PTGIR P43119 5/20 0.38
PTGDR Q13258 2/20 0.38
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 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
SCHEMBL3102700 0.90 CTSL (0.37) CTSLPTGIRPTGDROPRM1ALDH1A1
SCHEMBL3085520 0.87 CTSL (0.40) CTSLPTGIRPTGDROPRM1TP53
SCHEMBL3085535 0.81 OPRM1 (0.41) CTSLPTGIRPTGDROPRM1ALDH1A1
SCHEMBL3100054 0.81 CTSL (0.36) CTSLPTGIROPRM1ALDH1A1MEN1
SCHEMBL3103314 0.81 TAS2R14 (0.40) CTSLOPRM1ALDH1A1MEN1KMT2A
SCHEMBL3092037 0.80 ALDH1A1 (0.40) CTSLALDH1A1KMT2ATP53LMNA
SCHEMBL3087959 0.79 EGFR (0.45) ALDH1A1MEN1TSHRKMT2ATP53
SCHEMBL3090474 0.79 CTSL (0.35) CTSLOPRM1
SCHEMBL3103766 0.79 CTSL (0.35) CTSLOPRM1KMT2A
SCHEMBL3088024 0.79 OPRM1 (0.38) CTSLOPRM1ALDH1A1MEN1KMT2A

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 CTSL 2869/4885PTGIR 820/4885PTGDR 1018/4885

“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.