SCHEMBL1883796

SCHEMBL1883796

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3c(F)cccc3F)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
GNRHR P30968 1/20 0.38
PPARG P37231 7/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGES O14684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 4/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL1884669 0.92 RAB9A (0.46) RAB9AGNRHRPPARGKDM4EALDH1A1
SCHEMBL1889669 0.91 F2 (0.39) GNRHRPPARGKDM4EALDH1A1AGTR1
SCHEMBL1891061 0.89 APEX1 (0.42) RAB9APPARGPTGESTDP1HDAC1
SCHEMBL1889006 0.89 F2 (0.42) AGTR1AGTR2
SCHEMBL1886412 0.89 GNRHR (0.42) GNRHRPPARGKDM4ELMNAMAPT
SCHEMBL1891790 0.88 PPARG (0.40) PPARGKDM4EALDH1A1LMNAMAPT
SCHEMBL1883605 0.87 GNRHR (0.42) GNRHRPPARGAGTR1AGTR2
SCHEMBL1884538 0.86 ITK (0.40) PPARGLMNAAGTR1AGTR2
SCHEMBL1883736 0.86 ITK (0.45) PPARGALDH1A1LMNAMAPTAGTR1
SCHEMBL1885462 0.85 KDM4E (0.39) GNRHRPPARGKDM4EALDH1A1LMNA

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-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 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 (2 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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 RAB9A 4014/4885GNRHR 742/4885PPARG 123/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 RAB9A 4014/4885GNRHR 742/4885PPARG 123/4885

“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.