Sugi Predict

Sugi Predict / Compounds / SCHEMBL1891736

SCHEMBL1891736

SCHEMBL1891736

CCCc1nc2cc(N(Cc3ccccc3)C(=O)C3CCCCC3)ccc2n1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ ITK Q08881 7/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ INSR P06213 2/20 0.43
▸ APEX1 P27695 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ MAP4K4 O95819 2/20 0.39
▸ PHKG2 P15735 2/20 0.39
▸ MARK3 P27448 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CSNK1D P48730 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ IRAK1 P51617 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ NEK4 P51957 2/20 0.39
▸ CSNK1G2 P78368 2/20 0.39

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
SCHEMBL1890681 0.99 CNR2 (0.43) CNR2CNR1ITKLMNASMN1; SMN2
SCHEMBL1889314 0.89 NR1H4 (0.44) CNR2CNR1ITKLMNASMN1; SMN2
SCHEMBL1885965 0.88 NR1H4 (0.43) CNR2CNR1ITKLMNASMN1; SMN2
SCHEMBL1888632 0.88 AGTR1 (0.43) CNR2CNR1APEX1PPARGNR1H4
SCHEMBL1884541 0.85 APEX1 (0.47) LMNAAPEX1PPARGMAPT
SCHEMBL1893585 0.83 APEX1 (0.45) LMNAAPEX1PPARGMAPT
SCHEMBL1886357 0.81 ITK (0.49) ITKINSRAPEX1PPARG
SCHEMBL1887412 0.81 APEX1 (0.43) CNR2LMNAAPEX1PPARGMAPT
SCHEMBL1887633 0.80 PPARG (0.43) ITKLMNAAPEX1PPARG
SCHEMBL1883677 0.80 RAB9A (0.51) LMNAAPEX1PPARGMAPT

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 7 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-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 — — US disclosed
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-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 — — 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 CNR2 114/4885CNR1 389/4885ITK 2715/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 CNR2 114/4885CNR1 389/4885ITK 2715/4885

“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.