SCHEMBL4640340

SCHEMBL4640340

CNC(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1C2 P52895 6/20 0.38
AKR1C1 Q04828 5/20 0.38
BAZ2B Q9UIF8 1/20 0.38
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36

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
SCHEMBL4738875 0.88 NPC1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4733746 0.88 NPC1 (0.39) PLK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4736919 0.88 POLB (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4736607 0.85 HPGD (0.48) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4736986 0.84 MKNK1 (0.43) NPC1RAB9APDK2ALDH1A1SMN1; SMN2
SCHEMBL4737978 0.84 PDK2 (0.40) NPC1RAB9APDK2ALDH1A1SMN1; SMN2
SCHEMBL4640368 0.83 NOTUM (0.39) PDK2KDM4EAKR1C2AKR1C1FABP4
SCHEMBL4737360 0.83 PLK1 (0.52) PLK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4642110 0.82 KDM4E (0.40) PDK2KDM4EAKR1C2AKR1C1FABP4
SCHEMBL4736163 0.81 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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 6 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
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP 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
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP 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 PLK1 1294/4885NPC1 2801/4885RAB9A 2622/4885

“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.