SCHEMBL1890279

SCHEMBL1890279

CCCc1nc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2n1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 0.41
▸ GNRHR P30968 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ GLO1 Q04760 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SLC16A3 O15427 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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 0.81 LMNA (0.50) GNRHRMEN1KMT2AALDH1A1GAA
SCHEMBL1889721 0.78 GNRHR (0.41) GNRHRMEN1KMT2AGAA
SCHEMBL1885737 0.78 KDM4E (0.44) KMT2AALDH1A1GAAKDM4E
SCHEMBL1886847 0.78 BRD4 (0.38) GNRHRMEN1KMT2ABRD4ALDH1A1
SCHEMBL1892914 0.76 LMNA (0.49) GNRHRMEN1KMT2AALDH1A1GAA
SCHEMBL1889128 0.75 LMNA (0.48) GNRHRMEN1KMT2AALDH1A1GAA
SCHEMBL3831592 0.75 LMNA (0.47) GNRHRMEN1KMT2AALDH1A1GAA
SCHEMBL1885547 0.75 ALDH1A1 (0.41) ALDH1A1GAAKDM4E
SCHEMBL1883933 0.73 PKM (0.50) GNRHRMEN1KMT2AALDH1A1GAA
SCHEMBL1880717 0.72 LMNA (0.48) GNRHRMEN1KMT2AALDH1A1GAA

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 METAP2 1609/4885GNRHR 742/4885MEN1 4279/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 METAP2 1609/4885GNRHR 742/4885MEN1 4279/4885

“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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