SCHEMBL4144745

SCHEMBL4144745

O=S1(=O)c2ccccc2CN1c1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 15/20 0.55
▸ FFAR1 O14842 9/20 0.55
▸ PER2 O15055 1/20 0.35
▸ CRY1 Q16526 1/20 0.35
▸ CRY2 Q49AN0 1/20 0.35
▸ CACNA1H O95180 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.32

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
SCHEMBL20246096 0.70 FFAR4 (0.54) FFAR4FFAR1CACNA1H
SCHEMBL31069628 0.69 FFAR4 (0.47) FFAR4FFAR1CACNA1H
SCHEMBL20099012 0.68 FFAR4 (0.52) FFAR4FFAR1
SCHEMBL23732663 0.68 FFAR4 (0.45) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL19967183 0.68 ESR1 (0.53) FFAR4FFAR1PTPN1
SCHEMBL19967184 0.68 FFAR4 (0.52) FFAR4FFAR1CACNA1HPTPN1SLC40A1
SCHEMBL8157650 0.67 BRD4 (0.50) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL28194834 0.67 FFAR4 (0.44) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL19673967 0.67 FFAR4 (0.44) FFAR4FFAR1PER2CRY1CRY2
SCHEMBL28207011 0.67 FFAR4 (0.44) FFAR4FFAR1PER2CRY1CRY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 — — US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 — — EP disclosed
WO-2007088148-A1 DERIVATIVES OF THIOPHENE CARBOXILIC ACID AS ANTIVIRAL AGENT SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 — — WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 — — WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 — — 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS FFAR4 3792/4885FFAR1 3634/4885PER2 2807/4885

“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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