SCHEMBL6388154

SCHEMBL6388154

COC(=O)/C=C(/C(=O)OC)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
TYR P14679 1/20 0.47
MAPT P10636 7/20 0.45
ESR1 P03372 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NR3C1 P04150 1/20 0.45

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
SCHEMBL6388158 1.00 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL2516538 0.84 CA1 (0.52) CA1CA2MAPTTP53CYP1A2
SCHEMBL6389400 0.84 CA1 (0.52) CA1CA2MAPTTP53CYP1A2
SCHEMBL77602 0.84 CA1 (0.52) CA1CA2MAPTTP53CYP1A2
SCHEMBL3681269 0.84 TSHR (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL77733 0.84 TSHR (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL6394005 0.84 TSHR (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL9432437 0.83 MAPT (0.61) CA1CA2CA12CA7CA9
SCHEMBL9019998 0.80 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL9432434 0.80 CA1 (0.52) CA1CA2CA12CA7CA9

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-20050176797-A1 2-[5-(5-Carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-YL]-succinic acid derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
EP-1408963-A1 2- 5-(5-CARBAMIMIDOYL-1 i H /i -HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030114457-A1 2- [5- (5-carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-yl]-succinic acid derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-19 US disclosed
WO-2003006011-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed
WO-2003006670-A2 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 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 (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-20030114457-A1 2- [5- (5-carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-yl]-succinic acid derivatives as factor viia inhibitors F7, F9, F5 CA1 1477/4885CA2 543/4885CA12 2167/4885
US-20050176797-A1 2-[5-(5-Carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-YL]-succinic acid derivatives as factor viia inhibitors F7, F9, F5 CA1 1477/4885CA2 543/4885CA12 2167/4885

“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.