SCHEMBL1886847

SCHEMBL1886847

CCCc1nc2c(NS(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ SLC10A2 Q12908 1/20 0.37
▸ SLC10A1 Q14973 1/20 0.37
▸ SLC10A6 Q3KNW5 1/20 0.37
▸ GNRHR P30968 1/20 0.36
▸ SLC40A1 Q9NP59 2/20 0.36
▸ TGFBR1 P36897 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 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
SCHEMBL1883860 0.81 ALDH1A1 (0.35) GNRHRALDH1A1MEN1KMT2AGAA
SCHEMBL3051896 0.79 SMN1; SMN2 (0.40) GNRHRALDH1A1MEN1KMT2AGAA
SCHEMBL3047903 0.79 TRPM8 (0.38) GNRHRALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1886621 0.79 HCRTR2 (0.35) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1890984 0.78 HCRTR2 (0.34) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1890279 0.78 METAP2 (0.41) BRD4GNRHRALDH1A1MEN1KMT2A
SCHEMBL1889761 0.75 KDM4E (0.44) ALDH1A1KMT2AKDM4E
SCHEMBL1889802 0.74 LMNA (0.50) GNRHRALDH1A1MEN1KMT2AGAA
SCHEMBL1890955 0.72 TRPM8 (0.45) GNRHRALDH1A1GAAKDM4ELMNA
SCHEMBL1885760 0.71 DCTPP1 (0.42) ALDH1A1KDM4E

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 BRD4 954/4885PIK3CA 3759/4885MTOR 3728/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 BRD4 954/4885PIK3CA 3759/4885MTOR 3728/4885

“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.

Send feedback