SCHEMBL5069706

SCHEMBL5069706

COc1ccc(C([O])=O)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA4 P22748 1/20 0.70
CA6 P23280 1/20 0.70
CA7 P43166 1/20 0.70
TPMT P51580 1/20 0.70
CA9 Q16790 1/20 0.70
CA14 Q9ULX7 1/20 0.70
ALDH1A1 P00352 3/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.56

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
SCHEMBL11801641 0.85 TSHR (0.76) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1493250 0.84 CYP1A2 (1.00) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL29618985 0.84 TSHR (0.76) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3758910 0.84 TSHR (0.76) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL409710 0.83 MEN1 (0.75) CYP1A2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL335681 0.83 MAPK1 (0.77) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL76834 0.83 TSHR (0.73) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
Veratric Acid SCHEMBL976032 0.83 CA12 (1.00) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9364577 0.83 CYP1A2 (0.96) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL29415167 0.83 MAPK1 (0.77) TSHRCYP2C9CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO disclosed
EP-0194161-B1 Cyclopenta[d]pyrimidine derivatives, their preparation and use SANKYO CO (JP) 1994-05-25 EP disclosed
US-4749704-A Cyclopenta[d]pyrimidine derivatives and use as antidepressants SANKYO COMPANY LIMITED (JP) 1988-06-07 US disclosed
EP-0194161-A2 Cyclopenta[d]pyrimidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-09-10 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 (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-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 TSHR 4669/4885CYP2C9 2521/4885CYP2C19 3430/4885

“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.