SCHEMBL1895599

SCHEMBL1895599

CCCc1nc2cc(NS(=O)(=O)c3ccccc3C(=O)OC)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN5 P54829 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ BRD4 O60885 2/20 0.40
▸ F2 P00734 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ SLC40A1 Q9NP59 1/20 0.38
▸ GNRHR P30968 1/20 0.38

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
SCHEMBL1889802 0.83 LMNA (0.50) MEN1KMT2AF2LMNAKDM4E
SCHEMBL1882734 0.79 ACSS2 (0.46) MAPTKMT2ABRD4LMNAKDM4E
SCHEMBL1885070 0.79 GNRHR (0.44) MAPTMEN1KMT2ALMNAPPARG
SCHEMBL1892914 0.78 LMNA (0.49) MEN1KMT2AF2LMNAALDH1A1
SCHEMBL1889128 0.77 LMNA (0.48) MEN1KMT2AF2LMNAALDH1A1
SCHEMBL3831592 0.77 LMNA (0.47) MEN1KMT2AF2LMNAALDH1A1
SCHEMBL1883933 0.76 PKM (0.50) MEN1KMT2AF2LMNAKDM4E
SCHEMBL1885392 0.75 KDM4E (0.44) BRD4CA1CA2CA7CA13
SCHEMBL1880717 0.74 LMNA (0.48) MEN1KMT2AF2LMNAKDM4E
SCHEMBL1888311 0.74 GNRHR (0.46) MAPTMEN1KMT2AKDM4EALDH1A1

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 PTPN2 1557/4885PTPN1 3432/4885PTPN5 2793/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PTPN2 1557/4885PTPN1 3432/4885PTPN5 2793/4885

“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.

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