Sugi Predict

Sugi Predict / Compounds / SCHEMBL1885281

SCHEMBL1885281

SCHEMBL1885281

CCCc1nc2cc(N(CCC(C)C)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 6/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL1884995 0.89 GNRHR (0.45) GNRHRCNR2USP2ALDH1A1GAA
SCHEMBL1889587 0.89 GNRHR (0.42) GNRHRCNR2USP2ALDH1A1GAA
SCHEMBL1881961 0.89 MCL1 (0.44) GNRHRCNR2MCL1USP2ALDH1A1
SCHEMBL1890640 0.88 GNRHR (0.47) GNRHRUSP2ALDH1A1GAATHRB
SCHEMBL1887957 0.87 GNRHR (0.48) GNRHRCNR2ALDH1A1GAATHRB
SCHEMBL1889022 0.87 ALDH1A1 (0.40) GNRHRCNR2USP2ALDH1A1GAA
SCHEMBL1885741 0.86 GNRHR (0.40) GNRHRCNR2USP2ALDH1A1GAA
SCHEMBL1885742 0.86 GNRHR (0.40) GNRHRCNR2USP2ALDH1A1GAA
SCHEMBL1884440 0.86 GNRHR (0.42) GNRHRCNR2ALDH1A1GAATHRB
SCHEMBL1888276 0.85 GNRHR (0.44) GNRHRCNR2USP2ALDH1A1GAA

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 6 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
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 — — EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 — — EP disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 — — US disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 — — 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 (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 GNRHR 742/4885CNR2 114/4885MCL1 1330/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885CNR2 114/4885MCL1 1330/4885

“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.