SCHEMBL1888311

SCHEMBL1888311

CCCc1nc2cc(NCc3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 7/20 0.46
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ TBXA2R P21731 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMO Q99835 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
SCHEMBL1885070 0.91 GNRHR (0.44) GNRHRAGTR1AGTR2HDAC6NPC1
SCHEMBL1889802 0.84 LMNA (0.50) GNRHRRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL1882734 0.82 ACSS2 (0.46) GNRHRKDM4EALDH1A1MAPTKMT2A
SCHEMBL1890613 0.80 AGTR1 (0.41) GNRHRAGTR1AGTR2TBXA2RHDAC1
SCHEMBL1892914 0.79 LMNA (0.49) GNRHRAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL1891435 0.79 GNRHR (0.42) GNRHRAGTR1AGTR2TBXA2RALDH1A1
SCHEMBL1888860 0.79 AGTR1 (0.39) GNRHRAGTR1AGTR2TBXA2RKDM4E
SCHEMBL1889128 0.78 LMNA (0.48) GNRHRAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL1884995 0.78 GNRHR (0.45) GNRHRAGTR1AGTR2TBXA2RALDH1A1
SCHEMBL3831592 0.78 LMNA (0.47) GNRHRAGTR1AGTR2ALDH1A1HSD17B10

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 742/4885AGTR1 124/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885AGTR1 124/4885AGTR2 48/4885

“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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