SCHEMBL4568058

SCHEMBL4568058

COc1ccc(CC(=O)c2ccccc2F)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 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
SCHEMBL8762056 0.92 RAB9A (0.44) RAB9ANPC1POLBKDM4ENPSR1
SCHEMBL4568050 0.88 NPC1 (0.50) RAB9ANPC1KDM4ENPSR1RXFP1
SCHEMBL4568057 0.87 KMT2A (0.44) RAB9APOLBRXFP1MAPTALDH1A1
SCHEMBL4568012 0.84 KMT2A (0.45) RAB9ANPC1POLBKDM4ESMN1; SMN2
SCHEMBL4568362 0.84 CYP17A1 (0.37) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL4568358 0.83 GAA (0.42) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL4568054 0.83 SMN1; SMN2 (0.47) RAB9ANPC1KDM4ETDP1RXFP1
SCHEMBL4568049 0.82 RAB9A (0.46) RAB9ANPC1POLBKDM4ENPSR1
SCHEMBL4568067 0.81 KMT2A (0.50) RAB9ANPC1POLBKDM4ESMN1; SMN2
SCHEMBL4568361 0.81 TAS1R3 (0.41) RAB9ANPC1POLBNPSR1SMN1; SMN2

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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 RAB9A 1646/4885NPC1 1150/4885POLB 4054/4885

“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.