SCHEMBL3100199

SCHEMBL3100199

CCN(CC)C(=O)C(Cc1ccc(NC(=O)c2ccc(OC)cc2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44

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
SCHEMBL3102970 0.92 MMP9 (0.46) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL3093901 0.92 MMP9 (0.46) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL3080048 0.92 MEN1 (0.54) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL3092998 0.92 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL3090792 0.92 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL14999939 0.91 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AKDM4EMMP1
SCHEMBL3093732 0.91 LARS1 (0.44) NPC1RAB9AALDH1A1GAALMNA
SCHEMBL3090637 0.91 RAB9A (0.48) RAB9AMAPTALDH1A1LMNAKMT2A
SCHEMBL3090974 0.91 MEN1 (0.50) NPC1RAB9AMAPTGAAHSD17B10
SCHEMBL3100700 0.89 CA12 (0.47) NPC1RAB9AMAPTALDH1A1LMNA

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-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

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 NPC1 3306/4885RAB9A 826/4885CASP3 3474/4885

“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.