SCHEMBL4568070

SCHEMBL4568070

COc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.48
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KMT2A Q03164 1/20 0.41
VNN1 O95497 1/20 0.41

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
SCHEMBL4568067 0.90 KMT2A (0.50) KDM4EPOLBMAPTKMT2AANO1
SCHEMBL4568049 0.88 RAB9A (0.46) KDM4EPOLBMAPTKMT2AANO1
SCHEMBL4568051 0.88 KCNK3 (0.45) AKR1C3AKR1C2POLBKMT2AANO1
SCHEMBL4568012 0.86 KMT2A (0.45) KDM4EPOLBMAPTKMT2AANO1
SCHEMBL4568061 0.86 NPC1 (0.46) RXFP1AKR1C3AKR1C2KDM4EMAPT
SCHEMBL4568365 0.85 KMT2A (0.41) RXFP1KDM4EPOLBMAPTKMT2A
SCHEMBL4568369 0.83 ABCB1 (0.41) POLBMAPTKMT2AANO1
SCHEMBL4568358 0.82 GAA (0.42) MAPTTAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL4568054 0.82 SMN1; SMN2 (0.47) RXFP1AKR1C3KDM4EMAPTKMT2A
SCHEMBL4568363 0.82 MAPT (0.45) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R RXFP1 17/4885AKR1C3 585/4885AKR1C2 718/4885

“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.