SCHEMBL16638014

SCHEMBL16638014

COc1cccc2c1CN(C(=O)O)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.61
TRAP1 Q12931 5/20 0.56
HSP90B1 P14625 4/20 0.56
SLC6A9 P48067 1/20 0.46
AKR1C3 P42330 1/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NOTUM Q6P988 1/20 0.43
TIPARP Q7Z3E1 2/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL14067231 0.87 ABHD6 (0.61) ABHD6TRAP1HSP90B1SLC6A9AKR1C3
SCHEMBL30641865 0.86 DRD2 (0.51) ABHD6TRAP1HSP90B1NOTUM
SCHEMBL16282734 0.83 ABHD6 (0.61) ABHD6TRAP1HSP90B1SLC6A9AKR1C3
SCHEMBL16637999 0.81 ABHD6 (0.65) ABHD6TRAP1HSP90B1SLC6A9NOTUM
SCHEMBL26923232 0.80 ABHD6 (0.48) ABHD6TRAP1HSP90B1SLC6A9
SCHEMBL7946982 0.80 TRAP1 (0.52) ABHD6TRAP1SLC6A9NOTUMTAS1R3
SCHEMBL6229746 0.78 ABHD6 (0.55) ABHD6TRAP1HSP90B1SLC6A9CPT2
SCHEMBL20658793 0.78 L3MBTL1 (0.44) ABHD6TRAP1HSP90B1
SCHEMBL14067047 0.77 NOTUM (0.58) ABHD6TRAP1HSP90B1NOTUMMTNR1A
SCHEMBL7007674 0.77 ABHD6 (0.64) ABHD6TRAP1HSP90B1AKR1C3CPT2

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
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ABHD6 4481/4885TRAP1 1554/4885HSP90B1 2353/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ABHD6 4481/4885TRAP1 1554/4885HSP90B1 2353/4885

“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.