SCHEMBL4642372

SCHEMBL4642372

CC(=O)NC(Cc1c[nH]c2c(F)cc(F)cc12)(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
NOTUM Q6P988 1/20 0.37
TNF P01375 1/20 0.35
MPO P05164 3/20 0.34
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
NQO2 P16083 1/20 0.32
HTR2B P41595 1/20 0.32
TACR1 P25103 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
SCHEMBL4640443 0.86 GPR84 (0.39) GPR84ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL3251019 0.81 NOTUM (0.59) GPR84MTNR1AMTNR1BNOTUMMPO
SCHEMBL4641323 0.73 TNF (0.65) GPR84TNFTACR1
SCHEMBL14487642 0.73 GPR84 (0.65) GPR84ALDH1A1LMNATNFMPO
SCHEMBL5791055 0.72 GPR84 (0.59) GPR84ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL13954293 0.72 GPR84 (0.73) GPR84ALDH1A1LMNAMPOHTR1A
SCHEMBL14487390 0.71 GPR84 (0.58) GPR84ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL4641342 0.68 GPR84 (0.47) GPR84ALDH1A1LMNAMPOHTR1A
SCHEMBL29751089 0.68 TNF (0.61) GPR84ALDH1A1LMNATNFMPO
SCHEMBL6844425 0.68 TNF (0.61) GPR84ALDH1A1LMNATNFMPO

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 GPR84 304/4885ALDH1A1 3513/4885LMNA 2315/4885

“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.