Sugi Predict

Sugi Predict / Compounds / SCHEMBL6980879

SCHEMBL6980879

SCHEMBL6980879

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc(Cl)cc3O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.53
▸ CA1 P00915 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ FFAR1 O14842 12/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ SLCO1B3 Q9NPD5 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTR6 P50406 1/20 0.42

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
SCHEMBL1044755 1.00 CA2 (0.53) CA2CA1LMNAFFAR1CYP2C9
SCHEMBL1117923 0.95 CA2 (0.53) CA2CA1LMNAFFAR1CYP2C9
SCHEMBL13646367 0.95 CA2 (0.53) CA2CA1LMNAFFAR1CYP2C9
SCHEMBL6973466 0.90 CA2 (0.57) CA2LMNAFFAR1CYP2C9SMN1; SMN2
SCHEMBL6973472 0.90 CA2 (0.57) CA2LMNAFFAR1CYP2C9SMN1; SMN2
SCHEMBL17272700 0.88 CA2 (0.53) CA2CA1FFAR1CYP2C9CYP2B6
SCHEMBL17272699 0.88 CA2 (0.53) CA2CA1FFAR1CYP2C9CYP2B6
SCHEMBL438614 0.88 CA2 (0.49) CA2CA1LMNAFFAR1CYP2C9
SCHEMBL8123526 0.88 CA2 (0.49) CA2CA1LMNAFFAR1CYP2C9
SCHEMBL1019038 0.87 FFAR1 (0.49) CA2LMNAFFAR1CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120192-A2 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JASSEN PHARMACEUTICA, N.V. (BE) 2009-10-01 — — WO disclosed
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (BE) 2009-10-01 — — US disclosed
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (BE) 2009-10-01 — — US disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 — — EP disclosed
US-6136825-A ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS KNOLL AKTIENGESELLSCHAFT 2000-10-24 — — US disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 — — US disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 — — EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 — — 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-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES CYP3A4, CYP3A5, CYP1A2 CA2 3270/4885CA1 2909/4885LMNA 1717/4885

“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.