SCHEMBL3085893

SCHEMBL3085893

CCN(CC)C(=O)[C@H](Cc1ccc(NC(=O)c2cccc(F)c2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
KDM4E B2RXH2 2/20 0.52
KAT6A Q92794 2/20 0.49
MAPT P10636 2/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
F2 P00734 2/20 0.42
POLB P06746 2/20 0.41
SENP8 Q96LD8 1/20 0.41
GPR27 Q9NS67 1/20 0.41
AR P10275 1/20 0.41
LARS1 Q9P2J5 1/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL3096373 1.00 NPC1 (0.52) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3090637 0.92 RAB9A (0.48) RAB9AKDM4EMAPTENPP3ENPP1
SCHEMBL3102970 0.92 MMP9 (0.46) NPC1RAB9AKAT6AMEN1KMT2A
SCHEMBL3093901 0.92 MMP9 (0.46) NPC1RAB9AKAT6AMEN1KMT2A
SCHEMBL3092720 0.91 MEN1 (0.53) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3097645 0.90 KAT6A (0.49) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3093289 0.90 KAT6A (0.49) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3079467 0.90 F2 (0.43) NPC1RAB9AKDM4EKAT6AMAPT
SCHEMBL3080048 0.89 MEN1 (0.54) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3093127 0.89 GPR27 (0.48) NPC1RAB9AKDM4EKAT6AMAPT

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 18 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
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 NPC1 2756/4885RAB9A 2218/4885CASP3 389/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NPC1 3306/4885RAB9A 826/4885CASP3 3474/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 NPC1 2415/4885RAB9A 3461/4885CASP3 2026/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 NPC1 2415/4885RAB9A 3461/4885CASP3 2026/4885

“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.