SCHEMBL692381

SCHEMBL692381

CNc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.62
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
TBXA2R P21731 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42

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
Hydrochloric Acid SCHEMBL1626251 0.99 PTGER4 (0.61) PTGER4CA12CA1CA2CA9
SCHEMBL1626331 0.92 PTGER4 (0.60) PTGER4CA12CA1CA2CA9
SCHEMBL1625349 0.90 PTGER4 (0.65) PTGER4CA12CA1CA2CA9
SCHEMBL691466 0.89 PTGER4 (0.75) PTGER4CA12CA1CA2CA9
SCHEMBL1624472 0.89 PTGER4 (0.63) PTGER4CA12CA1CA2CA9
SCHEMBL1624079 0.88 PTGER4 (0.69) PTGER4CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1626576 0.88 PTGER4 (0.62) PTGER4CA12CA1CA2CA9
SCHEMBL5775859 0.88 PTGER4 (0.62) PTGER4CA12CA1CA2CA9
SCHEMBL1626267 0.87 PTGER4 (0.61) PTGER4CA12CA1CA2CA9
SCHEMBL1623481 0.87 PTGER4 (0.61) PTGER4CA12CA1CA2CA9

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253595-A1 SELECTIVE EP4 RECEPTOR ANTAGONISTIC SUBSTANCE FOR TREATMENT OF CANCER ASKAT INC. (JP) 2017-09-07 US claimed
US-20160317514-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC. (JP) 2016-11-03 US claimed
CN-105596320-A Selective EP4 receptor antagonistic substance for treatment of cancer RAQUALIA PHARMA INC 2016-05-25 CN claimed
EP-2976105-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE AskAt Inc. (JP) 2016-01-27 EP claimed
CN-105163761-A Use of EP4 receptor antagonists in the treatment of cartilage disorders ASKAT INC 2015-12-16 CN claimed
WO-2014148053-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC. (JP) 2014-09-25 WO claimed
EP-2538978-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF IL-23 MEDIATED DISEASES RaQualia Pharma Inc (JP) 2013-01-02 EP claimed
US-20120316197-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF IL-23 MEDIATED DISEASES RAQUALIA PHARMA INC. (JP) 2012-12-13 US claimed
CN-102770159-A Use of EP-4 receptor antagonists for the treatment of IL-23 mediated diseases RAQUALIA PHARMA INC 2012-11-07 CN claimed
CN-102421429-A Selective EP4 receptor antagonist for cancer therapy RAQUALIA PHARMA INC 2012-04-18 CN claimed
US-20120088723-A1 SELECTIVE EP4 RECEPTOR AGONISTIC SUBSTANCE FOR TREATMENT OF CANCER RAQUALIA PHARMA INC. (JP) 2012-04-12 US claimed
EP-2422779-A1 SELECTIVE EP4 RECEPTOR AGONISTIC SUBSTANCE FOR TREATMENT OF CANCER RaQualia Pharma Inc (JP) 2012-02-29 EP claimed
WO-2011102149-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF IL-23 MEDIATED DISEASES RAQUALIA PHARMA INC. (JP) 2011-08-25 WO claimed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US claimed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US claimed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US claimed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP claimed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US claimed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US claimed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20120316197-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF IL-23 MEDIATED DISEASES PTGER4, PTGER3, IL23R PTGER4 1/4885CA12 2442/4885CA1 3024/4885
US-20170253595-A1 SELECTIVE EP4 RECEPTOR ANTAGONISTIC SUBSTANCE FOR TREATMENT OF CANCER PTGER4, PTGER1, PTGER2 PTGER4 1/4885CA12 1688/4885CA1 2326/4885
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PTGER4 51/4885CA12 2074/4885CA1 2229/4885
US-20120088723-A1 SELECTIVE EP4 RECEPTOR AGONISTIC SUBSTANCE FOR TREATMENT OF CANCER PTGER4, PTGER1, PTGER2 PTGER4 1/4885CA12 1841/4885CA1 2486/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PTGER4 55/4885CA12 2132/4885CA1 2298/4885
US-20160317514-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE PTGER4, PTGER1, PTGER3 PTGER4 1/4885CA12 1179/4885CA1 1831/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES PTGER4 6/4885CA12 2754/4885CA1 3016/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885CA12 3636/4885CA1 2666/4885

“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.