SCHEMBL2928945

SCHEMBL2928945

Cc1ccsc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
METAP1 P53582 1/20 0.44
LCK P06239 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
PSMB8 P28062 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CYP17A1 P05093 1/20 0.38

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
SCHEMBL9291119 0.83 METAP1 (0.50) CA12CA1CA9METAP1SMN1; SMN2
SCHEMBL765316 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AHPGDNPC1
SCHEMBL399916 0.81 METAP1 (0.43) CA12CA1CA9METAP1LCK
SCHEMBL399013 0.81 METAP1 (0.43) CA12CA1CA9METAP1LCK
SCHEMBL1703501 0.80 PTPN2 (0.58) METAP1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL29951266 0.80 METAP1 (0.42) CA12CA1CA9METAP1LCK
SCHEMBL1703720 0.79 KMT2A (0.66) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL6969183 0.79 ALDH1A1 (0.44) CA12CA1CA9METAP1SMN1; SMN2
SCHEMBL14510093 0.78 METAP1 (0.49) CA12CA1CA9METAP1LCK
SCHEMBL9135517 0.78 MAPT (0.37) CA12CA1CA9METAP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB CA12 2486/4885CA1 2606/4885CA9 1301/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB CA12 2486/4885CA1 2606/4885CA9 1301/4885

“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.