SCHEMBL835634

SCHEMBL835634

CON(C)[C@@H](C)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CTSS P25774 4/20 0.35
CTSK P43235 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
DGAT1 O75907 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL14778691 0.84 CA1 (0.40) CA12CA14CA1CA2CA7
SCHEMBL15254162 0.83 CA1 (0.38) CA12CA14CA1CA2CA7
SCHEMBL9410028 0.83 CA1 (0.38) CA12CA14CA1CA2CA7
SCHEMBL2732000 0.82 TDP1 (0.35) CA12CA14CA1CA2CA7
SCHEMBL7401688 0.80 CTSL (0.41) CA12CA14CA1CA2CA7
SCHEMBL14778520 0.74 CA1 (0.41) CA12CA14CA1CA2CA7
SCHEMBL14779061 0.74 CA1 (0.41) CA12CA14CA1CA2CA7
SCHEMBL14780357 0.73 CA12 (0.36) CA12CA14CA1CA2CA7
SCHEMBL19790206 0.73 CA12 (0.33) CA12CA14CA1CA2CA7
SCHEMBL14714871 0.72 CA12 (0.41) CA12CA14CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (5 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 CA12 1461/4885CA14 1299/4885CA1 3182/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CA12 1461/4885CA14 1299/4885CA1 3182/4885
US-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK CA12 3895/4885CA14 3725/4885CA1 4007/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CA12 1461/4885CA14 1299/4885CA1 3182/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CA12 1461/4885CA14 1299/4885CA1 3182/4885

“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.