SCHEMBL4350002

SCHEMBL4350002

COc1ccc(C)cc1-c1cncc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.54
HCAR2 Q8TDS4 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALPL P05186 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL3072205 0.86 ALPL (0.57) CTSAHCAR2CYP1A1CYP1B1MKNK1
SCHEMBL23013093 0.83 CTSA (0.56) CTSACYP1A1CYP1B1MKNK1MKNK2
SCHEMBL29508472 0.83 CTSA (0.56) CTSACYP1A1CYP1B1MKNK1MKNK2
SCHEMBL4342096 0.81 HCAR2 (0.53) CTSAHCAR2MKNK1MKNK2KDM1A
SCHEMBL22442401 0.81 CA12 (0.54) CA12CA1CA2CA4CA6
SCHEMBL29784147 0.81 CA12 (0.54) CA12CA1CA2CA4CA6
SCHEMBL2262047 0.77 KDM1A (0.59) CTSAHCAR2MKNK1MKNK2KDM1A
SCHEMBL31418081 0.76 KDM1A (0.44) CTSACYP1A1CYP1B1KDM1AHDAC1
SCHEMBL17559287 0.75 AR (0.61) CA12CA1CA2CA4CA6
SCHEMBL1812435 0.75 KMO (0.55) HCAR2CYP1A1CYP1B1MKNK1MKNK2

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-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
EP-1889838-B1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2009-10-14 EP disclosed
EP-1889838-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2008-02-20 EP disclosed
EP-1864981-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
US-20070129338-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2007-06-07 US disclosed
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 US disclosed
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 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-20070129338-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK CTSA 1667/4885HCAR2 1491/4885CYP1A1 1196/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK CTSA 1667/4885HCAR2 1491/4885CYP1A1 1196/4885

“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.