SCHEMBL4737366

SCHEMBL4737366

N#CCc1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
XDH P47989 4/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.37
SLC22A12 Q96S37 2/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4738778 0.87 MMP3 (0.45) PDCD1CD274XDHALDH1A1NAAA
SCHEMBL4738334 0.84 PDCD1 (0.45) PDCD1CD274ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4734197 0.84 XDH (0.47) XDHSLC22A12AKR1C2AKR1C1KMT2A
SCHEMBL4734731 0.83 XDH (0.46) XDHALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4737367 0.81 ACMSD (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL4785991 0.80 KDM4E (0.45) XDHALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL13603037 0.79 SMN1; SMN2 (0.43) XDHALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL4737031 0.79 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL4737512 0.79 TP53 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL4737269 0.78 MTNR1A (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1

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 PDCD1 4721/4885CD274 4506/4885XDH 2848/4885

“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.