SCHEMBL4092414

SCHEMBL4092414

CC(C)(C)c1ccc(-c2cc3c(s2)c(-c2ccc(C(C)(C)C)cc2)c(C(=O)O)n3Cc2cccc(Cl)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.72
SERPINE1 P05121 4/20 0.50
CCR9 P51686 10/20 0.46
CCR2 P41597 1/20 0.42
ERCC5 P28715 1/20 0.41
PLA2G2A P14555 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK10 P53779 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
SCHEMBL4086539 0.88 PTGES (0.62) PTGESSERPINE1CCR9PLA2G2AALDH1A1
SCHEMBL4093589 0.84 PTGES (1.00) PTGESSERPINE1CCR2ERCC5CYP2C9
SCHEMBL6089872 0.78 SERPINE1 (0.59) PTGESSERPINE1CCR9PLA2G2AEDNRB
SCHEMBL5738857 0.78 SERPINE1 (0.56) PTGESSERPINE1CCR9PLA2G2AEDNRB
SCHEMBL5812761 0.76 PTGES (0.65) PTGESSERPINE1PLA2G2AEDNRBEDNRA
SCHEMBL4092264 0.75 PTGES (0.81) PTGESSERPINE1PLA2G2ACYP1A2CYP2D6
SCHEMBL4096957 0.72 PTGES (0.52) PTGESCCR2ERCC5PLA2G2AMAPT
SCHEMBL6091652 0.72 SERPINE1 (0.54) PTGESSERPINE1CCR9PLA2G2A
SCHEMBL6093040 0.72 SERPINE1 (0.45) PTGESSERPINE1CCR9PLA2G2A
SCHEMBL15497058 0.71 PTGES (0.55) PTGESCCR9CCR2ERCC5PLA2G2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 US 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES PTGES 3/4885SERPINE1 1731/4885CCR9 2391/4885

“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.