SCHEMBL3086418

SCHEMBL3086418

CCN(CC)C(=O)[C@H](Cc1ccc(NC(=O)c2cc(C)ccc2N)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.42
F2 P00734 5/20 0.41
KAT6A Q92794 2/20 0.41
ENPP2 Q13822 1/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
F10 P00742 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.37
BRAF P15056 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL3093678 1.00 LARS1 (0.42) LARS1F2KAT6AENPP2PRSS1
SCHEMBL3096098 0.92 LARS1 (0.45) LARS1F2KAT6APRSS1PRSS2
SCHEMBL3096503 0.92 LARS1 (0.45) LARS1F2KAT6APRSS1PRSS2
SCHEMBL3092294 0.91 LARS1 (0.42) LARS1F2KAT6AAVPR2GPR27
SCHEMBL3097539 0.91 LARS1 (0.42) LARS1F2KAT6APRSS1PRSS2
SCHEMBL3088260 0.91 LARS1 (0.42) LARS1F2KAT6APRSS1PRSS2
SCHEMBL3096934 0.91 LARS1 (0.42) LARS1F2KAT6AAVPR2GPR27
SCHEMBL3092060 0.90 KAT6A (0.47) LARS1F2KAT6AENPP2AVPR2
SCHEMBL3093304 0.89 LARS1 (0.42) LARS1F2KAT6AMAPT
SCHEMBL3086182 0.89 LARS1 (0.42) LARS1F2KAT6AMAPT

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 LARS1 4702/4885F2 2017/4885KAT6A 2882/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 LARS1 1976/4885F2 4128/4885KAT6A 3337/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 LARS1 4053/4885F2 4721/4885KAT6A 4634/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 LARS1 4053/4885F2 4721/4885KAT6A 4634/4885

“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.