SCHEMBL8931375

SCHEMBL8931375

CC(C)(C)C1CNC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 2/20 0.49
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PARP1 P09874 5/20 0.38
PARP10 Q53GL7 3/20 0.37
PARP11 Q9NR21 3/20 0.37
PDPK1 O15530 1/20 0.37
PARP2 Q9UGN5 1/20 0.36
TNKS2 Q9H2K2 3/20 0.35
PBRM1 Q86U86 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.33
TNKS O95271 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL30185581 0.84 PARP3 (0.50) PARP3HTR2AHTR2CHTR2BCA12
Boric Acid SCHEMBL29099586 0.79 PARP3 (0.49) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL6635520 0.77 PARP3 (0.53) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL12220005 0.77 PARP3 (0.53) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL29332787 0.74 EPHX2 (0.35) HTR2AHTR2CHTR2B
SCHEMBL21316477 0.74 EPHX2 (0.35) HTR2AHTR2CHTR2B
SCHEMBL8931361 0.74 EPHX2 (0.35) HTR2AHTR2CHTR2B
SCHEMBL12237554 0.73 ADORA3 (0.41) HTR2CHSD17B10
SCHEMBL11750196 0.73 PARP3 (0.61) PARP3HTR2AHTR2CHTR2BCA12
SCHEMBL21187107 0.73 PARP3 (0.53) PARP3HTR2AHTR2CHTR2BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP PARP3 4349/4885HTR2A 2971/4885HTR2C 2305/4885

“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.