SCHEMBL4568370

SCHEMBL4568370

Cc1ccc(CC(=O)c2ccsc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
DAO P14920 1/20 0.34
MAPT P10636 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4568025 0.88 KMT2A (0.38) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4568384 0.84 MEN1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1CA12
SCHEMBL8761820 0.81 USP2 (0.38) MEN1KMT2AALDH1A1MAPK8
SCHEMBL7953132 0.79 CYP1A2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL4568021 0.78 CYP1A2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL4568052 0.77 NPC1 (0.46) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2895708 0.76 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2889296 0.75 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL17230173 0.75 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10179873 0.74 MCHR1 (0.42) MEN1KMT2ARAB9AALDH1A1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 4661/4885CYP1A2 1792/4885CYP2C9 2371/4885

“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.