SCHEMBL4644388

SCHEMBL4644388

CCC(C)OC(=O)C(CCC=NNc1ccc(F)cc1F)(NC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
GAA P10253 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 5/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PKM P14618 1/20 0.35
MAPT P10636 8/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX12 P18054 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 3/20 0.34
DHODH Q02127 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4644380 0.82 PKM (0.45) RAB9AGAASMN1; SMN2NPC1NFKB1
SCHEMBL4644373 0.82 PKM (0.45) RAB9AGAASMN1; SMN2NPC1NFKB1
SCHEMBL7024495 0.72 PKM (0.36) PKMMAPTHTTALDH1A1KDM4E
SCHEMBL866121 0.72 PKM (0.36) PKMMAPTHTTALDH1A1KDM4E
SCHEMBL5365453 0.70 ALDH1A1 (0.42) ALDH1A1POLBDHODH
SCHEMBL5361416 0.69 ALDH1A1 (0.43) ALDH1A1POLBDHODH
SCHEMBL5359741 0.69 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL5365525 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4640443 0.67 GPR84 (0.39) ALDH1A1LMNA
SCHEMBL589165 0.67 ALDH1A1 (0.47) SMN1; SMN2HTTALDH1A1KDM4EMEN1

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 3 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 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 RAB9A 2622/4885GAA 3270/4885SMN1; SMN2 4132/4885

“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.