SCHEMBL12397693

SCHEMBL12397693

Cc1ccc(C(CCCO)c2c[nH]c3c(NS(C)(=O)=O)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.45
PGR P06401 8/20 0.45
NR3C2 P08235 8/20 0.45
AR P10275 8/20 0.45
PLA2G7 Q13093 6/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL12397686 0.94 NR3C1 (0.47) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL2161713 0.88 NR3C1 (0.44) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397695 0.88 NR3C1 (0.41) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397541 0.85 NR3C1 (0.43) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397692 0.85 NR3C1 (0.42) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397545 0.83 NR3C1 (0.44) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL1423391 0.82 NR3C1 (0.46) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12397653 0.81 MGAM (0.43) NR3C1MGAMGAASIMGAM2
SCHEMBL12397636 0.81 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12397777 0.81 NR3C1 (0.47) NR3C1PGRNR3C2ARPLA2G7

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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 NR3C1 2099/4885PGR 4721/4885NR3C2 735/4885

“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.