SCHEMBL220746

SCHEMBL220746

CC(=O)c1cc(Cl)cc2c1OC(C)(C)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR2A P28223 1/20 0.47
FFAR4 Q5NUL3 10/20 0.46
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL7626504 0.88 HTR2A (0.50) PKMNPSR1HTR2AFFAR4LMNA
SCHEMBL2432528 0.88 FFAR4 (0.49) PKMNPSR1HTR2AFFAR4LMNA
Hydrochloric Acid SCHEMBL7626508 0.86 FFAR4 (0.48) PKMNPSR1HTR2AFFAR4LMNA
SCHEMBL14702595 0.85 PKM (0.40) PKMNPSR1HTR2AFFAR4
SCHEMBL12035513 0.84 PKM (0.47) PKMNPSR1HTR2AFFAR4LMNA
SCHEMBL18934439 0.84 PKM (0.50) PKMNPSR1HTR2AFFAR4LMNA
SCHEMBL30845523 0.81 FFAR4 (0.36) PKMNPSR1HTR2AFFAR4
SCHEMBL22688926 0.81 FFAR4 (0.36) PKMNPSR1HTR2AFFAR4
SCHEMBL4752981 0.78 LMNA (0.45) PKMNPSR1HTR2AFFAR4LMNA
SCHEMBL4750485 0.77 HTR2A (0.51) PKMNPSR1HTR2AFFAR4LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
CN-102131774-A Novel pyrrole derivative having, as substituents, ureide group, aminocarbonyl group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO LTD 2011-07-20 CN disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP 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 (1 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-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA PKM 3549/4885NPSR1 1552/4885HTR2A 2583/4885

“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.