Methane

Methane

SCHEMBL241187

C.O=C(O)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
TP53 P04637 1/20 0.67
ALOX15 P16050 1/20 0.59
SRD5A2 P31213 4/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
NAPRT Q6XQN6 2/20 0.52
DAO P14920 1/20 0.52
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL479950 0.97 TSHR (0.71) TSHRTP53ALOX15SRD5A2CA1
SCHEMBL23630426 0.90 TSHR (0.60) TSHRTP53ALOX15SRD5A2CA1
SCHEMBL10348291 0.90 TSHR (0.60) TSHRTP53ALOX15SRD5A2CA1
4-Chloro-Benzoic Acid SCHEMBL28224588 0.87 TSHR (0.81) TSHRTP53ALOX15SRD5A2CA1
Benzoyl Chloride SCHEMBL2716706 0.86 TSHR (0.74) TSHRTP53ALOX15SRD5A2CA1
Benzene SCHEMBL10386399 0.85 ALDH1A1 (0.54) TSHRTP53ALOX15SRD5A2CA1
SCHEMBL68148 0.85 ALDH1A1 (0.59) TSHRTP53ALOX15SRD5A2CA1
SCHEMBL20587670 0.85 ALDH1A1 (0.59) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL9242726 0.85 TSHR (0.92) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL28157425 0.85 TSHR (0.92) TSHRTP53ALOX15SRD5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-7122565-B2 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT LLC (US) 2006-10-17 US disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed
EP-1326853-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2003-07-16 EP disclosed
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY 2003-03-06 US disclosed
WO-2002028847-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-04-11 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 (5 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885TP53 969/4885ALOX15 1570/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 TSHR 938/4885TP53 611/4885ALOX15 1876/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885TP53 969/4885ALOX15 1570/4885
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors PDE3A, PDE3B, PDE7A TSHR 1168/4885TP53 4799/4885ALOX15 1910/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TSHR 1199/4885TP53 969/4885ALOX15 1570/4885

“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.