SCHEMBL14302168

SCHEMBL14302168

COc1ccc(SC(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.49
▸ CLK4 Q9HAZ1 4/20 0.49
▸ SRPK1 Q96SB4 3/20 0.49
▸ CDK1 P06493 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CDK5 Q00535 3/20 0.49
▸ STK3 Q13188 3/20 0.49
▸ PIM3 Q86V86 3/20 0.49
▸ HIPK4 Q8NE63 3/20 0.49
▸ AURKB Q96GD4 3/20 0.49
▸ HIPK2 Q9H2X6 3/20 0.49
▸ PTK6 Q13882 2/20 0.49
▸ MINK1 Q8N4C8 2/20 0.49
▸ MAP4K4 O95819 2/20 0.49
▸ CLK2 P49760 2/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ DYRK3 O43781 1/20 0.49
▸ RET P07949 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ FGFR1 P11362 1/20 0.49

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
SCHEMBL14300151 0.84 RORC (0.46) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL1465896 0.80 PLK4 (0.49) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL16359172 0.76 GSK3A (0.44) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL1464316 0.75 GSK3A (0.49) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL14300149 0.74 CLK4 (0.50) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL14960342 0.73 GSK3A (0.48) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL14302166 0.71 KMT2A (0.61) NPC1RAB9AMAPTTSHRSMN1; SMN2
SCHEMBL13170010 0.70 KDM4E (0.56) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL1621426 0.69 RORC (0.49) ACVR1CLK4SRPK1CDK1CDK2
SCHEMBL10068147 0.69 GAA (0.51) ACVR1CLK4SRPK1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 — — 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ACVR1 2952/4885CLK4 3562/4885SRPK1 4263/4885

“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.

Send feedback