Sugi Predict

Sugi Predict / Compounds / SCHEMBL370680

SCHEMBL370680

SCHEMBL370680

Cc1cc(Cl)ccc1C(CC(=O)c1ccc(=O)n(CCO)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ CCR5 P51681 4/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 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
SCHEMBL365895 0.92 GPBAR1 (0.37) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL363505 0.91 GPBAR1 (0.36) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL364386 0.89 LMNA (0.37) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL364818 0.89 EPHX2 (0.47) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL370157 0.89 GPBAR1 (0.39) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL369790 0.89 GPBAR1 (0.39) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL369788 0.89 GPBAR1 (0.39) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL369789 0.89 GPBAR1 (0.39) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL365049 0.89 LMNA (0.37) GPBAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL369885 0.88 EPHX2 (0.41) GPBAR1ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 — — CN disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 — — CN disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — US 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885ADORA3 293/4885ADORA2A 432/4885

“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.