SCHEMBL2485380

SCHEMBL2485380

COS(=O)(=O)[O-].C[S+](C)c1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ CASP3 P42574 3/20 0.37
▸ FABP7 O15540 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ MDM2 Q00987 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP14 P50281 1/20 0.33

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
SCHEMBL9355864 0.93 FABP5 (0.39) FABP5CA1CA2KMT2ACASP3
SCHEMBL9647974 0.92 KMT2A (0.43) FABP5CA1CA2KMT2ACASP3
Trifluoromethanesulfonic Acid SCHEMBL9323678 0.81 CA1 (0.38) FABP5CA1CA2KMT2ACASP3
Methylsulfanylmethane SCHEMBL8351795 0.81 FABP5 (0.39) FABP5CA1CA2KMT2ACASP3
SCHEMBL8517516 0.79 KMT2A (0.43) FABP5CA1CA2KMT2AFABP7
SCHEMBL4807073 0.78 CA1 (0.46) FABP5CA1CA2KMT2ACASP3
SCHEMBL27143076 0.78 FABP5 (0.52) FABP5CA1CA2KMT2ACASP3
SCHEMBL9355666 0.77 KMT2A (0.43) FABP5CA1CA2KMT2ACASP3
SCHEMBL14099780 0.76 CYP1A2 (0.47) FABP5KMT2AFABP7EPHX2
SCHEMBL9225108 0.75 GAA (0.49) FABP5KMT2AFABP7EPHX2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076294-B2 Collagen-related peptides and uses thereof ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC. (US) 2011-12-13 — — US disclosed
EP-2391393-A2 PCL/PGA HEMOSTATIC FOAMS Ethicon, Inc (US) 2011-12-07 — — EP disclosed
EP-2183280-B1 COLLAGEN-RELATED PEPTIDES AND USES THEREOF ETHICON INC (US) 2011-10-26 — — EP disclosed
WO-2010088469-A2 COLLAGEN-RELATED PEPTIDES AND USES THEREOF AND HEMOSTATIC FOAM SUBSTRATES ETHICON, INC. (US) 2010-08-05 — — WO disclosed
EP-2183280-A2 COLLAGEN-RELATED PEPTIDES AND USES THEREOF ETHICON, INC. (US) 2010-05-12 — — EP disclosed
US-20100021527-A1 COLLAGEN-RELATED PEPTIDES AND USES THEREOF AND HEMOSTATIC FOAM SUBSTRATES ETHICON, INC. 2010-01-28 — — US disclosed
US-20090299034-A1 Collagen-related peptides JANSSEN PHARMACEUTICA, N.V. (BE) 2009-12-03 — — US disclosed
US-20090068246-A1 COLLAGEN-RELATED PEPTIDES AND USES THEREOF ETHICON, INC. 2009-03-12 — — US disclosed
WO-2009018126-A2 COLLAGEN-RELATED PEPTIDES AND USES THEREOF ETHICON, INC. (US) 2009-02-05 — — WO disclosed
WO-2009017482-A1 COLLAGEN-RELATED PEPTIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-05 — — WO disclosed
EP-1019089-B1 LONG-ACTING DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RES & DEV (IL) 2005-11-09 — — EP disclosed
US-6504005-B1 Conjugates of a polypeptide or oligopeptide with a low molecular weight lipophilic compound, the peptide and lipophilic group being covalently linked to one another either directly or via a connecting element, with the exception of YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-01-07 — — US disclosed
US-6096863-A PEPTIDE COMPLEX WITH A LINKED LIPOPHILIC PORTION; FOR DRUG DELIVERY DEVICES FOR TARGETED CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-08-01 — — US disclosed
WO-1999020300-A1 INHIBITION OF TUMOR CELL ADHESION TO TYPE IV COLLAGEN THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-04-29 — — WO disclosed
US-5853744-A Solid-phase method for attaching a biomolecule to a substrate surface with a photoreactive crosslinking agent REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-12-29 — — US disclosed
US-4990644-A Water solubility SANSHIN KAGAKU KOGYO CO. LTD. (JP) 1991-02-05 — — US disclosed
EP-0331988-A1 Sulfonium compounds, as well as process for producing active esters and amides used for the production of amides SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-09-13 — — 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 (3 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-20090299034-A1 Collagen-related peptides COL14A1, COL2A1, COL1A1 FABP5 450/4885CA1 955/4885CA2 2273/4885
US-20100021527-A1 COLLAGEN-RELATED PEPTIDES AND USES THEREOF AND HEMOSTATIC FOAM SUBSTRATES FGB, F2, F13B FABP5 291/4885CA1 2188/4885CA2 3229/4885
US-20090068246-A1 COLLAGEN-RELATED PEPTIDES AND USES THEREOF COL14A1, COL2A1, COL1A1 FABP5 559/4885CA1 832/4885CA2 2169/4885

“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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