SCHEMBL3857912

SCHEMBL3857912

CCCCCS(=O)(=O)c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
SOAT1 P35610 10/20 0.35
EPHX2 P34913 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
FAAH O00519 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
SCHEMBL11487808 0.98 MMP1 (0.38) MMP1MMP9MMP13SOAT1EPHX2
SCHEMBL5695327 0.98 MMP1 (0.38) MMP1MMP9MMP13SOAT1EPHX2
SCHEMBL6623865 0.95 PSIP1 (0.35) SOAT1
SCHEMBL3540671 0.87 PSIP1 (0.38)
SCHEMBL159759 0.81 PSIP1 (0.46) FAAH
SCHEMBL11420929 0.79 CNR2 (0.44)
SCHEMBL11426081 0.79 CNR2 (0.44)
SCHEMBL9769421 0.78 TDP1 (0.41) THRATHRB
SCHEMBL3982652 0.77 CA2 (0.40)
SCHEMBL7709103 0.77 CA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10109883-B2 Polymers containing sulfonamide sodium or lithium salts, methods for production thereof and uses of same as electrolytes for batteries CPD INNOVATION (FR) 2018-10-23 US claimed
US-20170170516-A1 NOVEL POLYMERS CONTAINING SULFONAMIDE SODIUM OR LITHIUM SALTS, METHODS FOR PRODUCTION THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2017-06-15 US claimed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP claimed
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO claimed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO claimed
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 MMP1 286/4885MMP9 159/4885MMP13 329/4885

“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.