SCHEMBL4735619

SCHEMBL4735619

CNC(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OC(C)(C)CC3)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
DAGLA Q9Y4D2 2/20 0.36
AKR1C2 P52895 3/20 0.34
AKR1C1 Q04828 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RARG P13631 1/20 0.34
SCN9A Q15858 2/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.33
HCRTR2 O43614 1/20 0.32
RXRA P19793 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL4640368 0.81 NOTUM (0.39) PDK2AKR1C2AKR1C1KDM4EMEN1
SCHEMBL4642110 0.80 KDM4E (0.40) PDK2AKR1C2AKR1C1KDM4EMEN1
SCHEMBL3936279 0.76 PDK2 (0.40) PDK2AKR1C2AKR1C1KDM4EKMT2A
SCHEMBL4640340 0.75 PLK1 (0.43) PDK2AKR1C2AKR1C1KDM4ELMNA
SCHEMBL669624 0.74 FFAR4 (0.38) AKR1C2AKR1C1PKMNPSR1
SCHEMBL14092032 0.74 SCN9A (0.32) SCN9A
SCHEMBL4643594 0.72 PDK2 (0.39) PDK2AKR1C2AKR1C1BRD4MET
SCHEMBL14161471 0.72 KDM4E (0.38) PDK2KDM4EMEN1LMNAHSP90AA1
SCHEMBL7325572 0.67 FFAR4 (0.36) AKR1C2AKR1C1PKMNPSR1
SCHEMBL672668 0.66 LMNA (0.44) KDM4ELMNAMAPTPKMNPSR1

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
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 PDK2 3312/4885DAGLA 4129/4885AKR1C2 610/4885

“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.