SCHEMBL3088478

SCHEMBL3088478

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL3100742 0.93 MMP8 (0.41) MMP8MLYCDKDM4EALDH1A1KCNH2
SCHEMBL3088024 0.86 OPRM1 (0.38) MLYCDKDM4EALDH1A1KCNH2MEN1
SCHEMBL3093384 0.85 MEN1 (0.38) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3101143 0.83 LARS1 (0.53) —
SCHEMBL3084776 0.81 FFAR2 (0.35) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3093391 0.81 KMT2A (0.43) ALDH1A1MEN1KMT2APOLB
SCHEMBL3093403 0.81 KMT2A (0.43) ALDH1A1MEN1KMT2APOLB
SCHEMBL3092667 0.80 LARS1 (0.47) MMP1MMP7MMP13
SCHEMBL3096868 0.77 NOS3 (0.41) MEN1KMT2A
SCHEMBL3096862 0.77 NOS3 (0.41) MEN1KMT2A

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 MMP8 240/4885MLYCD 4615/4885KDM4E 3936/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 MMP8 3060/4885MLYCD 342/4885KDM4E 3644/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MMP8 2083/4885MLYCD 764/4885KDM4E 3004/4885
US-10071099-B2 Medicament for suppressing malignant tumor metastasis AGTR2, MME, AGTR1 MMP8 2083/4885MLYCD 764/4885KDM4E 3004/4885

“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.

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