SCHEMBL3103776

SCHEMBL3103776

O=C(O)CSc1ccc(CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.63
▸ ALDH1A1 P00352 1/20 0.60
▸ CTSB P07858 1/20 0.56
▸ ELANE P08246 1/20 0.56
▸ DUSP3 P51452 1/20 0.56
▸ GAA P10253 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.51
▸ APEX1 P27695 1/20 0.46
▸ CYP2C19 P33261 1/20 0.44
▸ DAO P14920 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CXCL12 P48061 1/20 0.41
▸ PHGDH O43175 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CDC25B P30305 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
SCHEMBL11084513 0.82 FFAR1 (0.61) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL16374497 0.82 FFAR1 (0.61) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL3892694 0.79 FFAR1 (0.57) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL991241 0.78 FFAR1 (0.68) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL74365 0.78 FFAR1 (1.00) FFAR1ALDH1A1CTSBELANEDUSP3
Ethylene Glycol SCHEMBL9808276 0.78 FFAR1 (0.61) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL3105393 0.77 MAPT (0.51) FFAR1ALDH1A1GAAHSD17B10CYP2C19
SCHEMBL8676125 0.77 FFAR1 (0.65) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL883102 0.77 FFAR1 (0.65) FFAR1ALDH1A1CTSBELANEDUSP3
SCHEMBL632287 0.77 SMN1; SMN2 (0.68) FFAR1ALDH1A1CTSBELANEDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 — — US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 — — US disclosed
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
CN-101547908-A Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 — — CN disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 — — EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 — — US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 — — WO disclosed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 — — EP disclosed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 — — WO disclosed
EP-0100158-A2 (3-pyridinyl)heteroalkarylalkanols, alkanoic acids and esters THE UPJOHN COMPANY (US) 1984-02-08 — — 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 (2 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 FFAR1 4171/4885ALDH1A1 530/4885CTSB 63/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 FFAR1 4171/4885ALDH1A1 530/4885CTSB 63/4885

“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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