SCHEMBL4733746

SCHEMBL4733746

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
AKR1C2 P52895 3/20 0.39
AKR1C1 Q04828 3/20 0.39
XDH P47989 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL4640340 0.88 PLK1 (0.43) NPC1RAB9AAKR1C2AKR1C1ALDH1A1
SCHEMBL4736919 0.85 POLB (0.42) NPC1RAB9AAKR1C2AKR1C1ALDH1A1
SCHEMBL4738875 0.85 NPC1 (0.39) NPC1RAB9AAKR1C2AKR1C1ALDH1A1
SCHEMBL4736607 0.83 HPGD (0.48) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL4736986 0.82 MKNK1 (0.43) NPC1RAB9AAKR1C2AKR1C1XDH
SCHEMBL4737978 0.81 PDK2 (0.40) NPC1RAB9AAKR1C2AKR1C1XDH
SCHEMBL4734000 0.79 TSHR (0.47) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4736163 0.78 NPC1 (0.46) NPC1RAB9AAKR1C2AKR1C1ALDH1A1
SCHEMBL4739680 0.78 TSHR (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4737918 0.78 RPA1 (0.45) NPC1RAB9AAKR1C2AKR1C1XDH

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 NPC1 2801/4885RAB9A 2622/4885AKR1C2 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.