SCHEMBL3088024

SCHEMBL3088024

CC(C)N(C(=O)C(CC1CC1)C(=O)NS(=O)(=O)CCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
MLYCD O95822 1/20 0.36
AGTR2 P50052 1/20 0.36
CTSL P07711 1/20 0.36
IDO1 P14902 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3103314 0.90 TAS2R14 (0.40) OPRM1CTSLTAS2R14MEN1KMT2A
SCHEMBL3100054 0.87 CTSL (0.36) OPRM1CTSLMEN1KMT2AKDM4E
SCHEMBL3088478 0.86 MMP8 (0.39) MLYCDIDO1MEN1KMT2AKDM4E
SCHEMBL3099793 0.86 MEN1 (0.35) CTSLMEN1KMT2AKDM4EALDH1A1
SCHEMBL3090474 0.85 CTSL (0.35) OPRM1AGTR2CTSL
SCHEMBL3093486 0.84 CTSL (0.34) CTSL
SCHEMBL3087951 0.82 KMT2A (0.40) OPRM1CTSLMEN1KMT2AALDH1A1
SCHEMBL3103766 0.82 CTSL (0.35) OPRM1AGTR2CTSLKMT2A
SCHEMBL3097794 0.81 BCL2L1 (0.41) CTSLMEN1KMT2A
SCHEMBL3100742 0.80 MMP8 (0.41) MLYCDKMT2AKDM4EALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-10-04 US claimed
US-10071099-B2 Medicament for suppressing malignant tumor metastasis NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-09-11 US claimed
EP-3127554-A1 MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS National Cerebral and Cardiovascular Center (JP) 2017-02-08 EP claimed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US claimed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP claimed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP claimed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US claimed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US claimed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP claimed
US-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-10-04 US disclosed
US-10071099-B2 Medicament for suppressing malignant tumor metastasis NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-09-11 US disclosed
EP-3127554-A1 MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS National Cerebral and Cardiovascular Center (JP) 2017-02-08 EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-9291597-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2016-03-22 US disclosed
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 (4 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-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY AGTR2, AGTR1, REN OPRM1 655/4885MLYCD 4615/4885AGTR2 1/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 OPRM1 2431/4885MLYCD 342/4885AGTR2 2/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 OPRM1 483/4885MLYCD 764/4885AGTR2 1/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 OPRM1 483/4885MLYCD 764/4885AGTR2 1/4885

“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.