Methane

Methane

SCHEMBL506232

C.O=C(O)Cc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 16/20 0.70
KDM4E B2RXH2 1/20 0.63
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL9820079 0.99 HPSE (0.72) HPSEKDM4EMAPTTP53SMN1; SMN2
Methane SCHEMBL5476423 0.87 HPSE (0.70) HPSEKDM4EMAPTTP53SMN1; SMN2
Methane SCHEMBL505763 0.87 HPSE (0.70) HPSEKDM4EMAPTSMN1; SMN2GAA
SCHEMBL507169 0.87 KDM4E (0.77) HPSEKDM4ESMN1; SMN2GAA
Methane SCHEMBL25304065 0.86 HPSE (0.69) HPSEKDM4EMAPTSMN1; SMN2
SCHEMBL11626342 0.86 HPSE (0.72) HPSEKDM4EMAPTSMN1; SMN2GAA
SCHEMBL5461475 0.86 HPSE (0.72) HPSEKDM4EMAPTTP53SMN1; SMN2
SCHEMBL14581706 0.85 HPSE (0.70) HPSEKDM4EGAA
SCHEMBL20515142 0.82 HPSE (1.00) HPSEKDM4E
SCHEMBL5641397 0.82 MAPT (0.55) HPSEKDM4EMAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP claimed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO claimed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 CN claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 CN claimed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP disclosed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO disclosed
US-20070043003-A1 Novel compounds for the prophylaxis and treatment of inflammatory bowel diseases HIKMA PHARMACEUTICALS CO., LTD. (JO) 2007-02-22 US disclosed
EP-1688413-A1 Benzoxazole derivatives for the prophylaxis and treatment of inflammatory bowel diseases Hikma Pharmaceuticals Co. Ltd. (JO) 2006-08-09 EP disclosed
US-4416892-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1983-11-22 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-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 HPSE 1312/4885KDM4E 3746/4885MAPT 2292/4885
US-20070043003-A1 Novel compounds for the prophylaxis and treatment of inflammatory bowel diseases SI, ALPI, VIP HPSE 811/4885KDM4E 1883/4885MAPT 4720/4885

“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.