SCHEMBL1463335

SCHEMBL1463335

Fc1cccc(C2COCC(=S)N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
P2RX7 Q99572 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL1463331 1.00 TAAR1 (0.39) TAAR1ALDH1A1CYP3A4CYP2D6KMT2A
SCHEMBL430644 0.82 CYP19A1 (0.42) TAAR1KMT2ACA1CYP19A1MAPK1
SCHEMBL18162826 0.82 TAAR1 (0.39) TAAR1ALDH1A1CYP3A4CYP2D6KMT2A
SCHEMBL1464007 0.82 CYP19A1 (0.42) TAAR1KMT2ACA1CYP19A1MAPK1
SCHEMBL3584547 0.82 CYP19A1 (0.42) TAAR1KMT2ACA1CYP19A1MAPK1
SCHEMBL14654002 0.80 TSHR (0.38) ALDH1A1CYP3A4CYP2D6KMT2AMAPT
SCHEMBL30370162 0.74 TAAR1 (0.43) TAAR1ALDH1A1KMT2ACA1CYP19A1
SCHEMBL432870 0.72 PRKACA (0.52) TAAR1CA1CYP19A1HTR2AHTR2C
SCHEMBL28983074 0.72 CYP19A1 (0.47) TAAR1KMT2ACA1CYP19A1MAPK1
SCHEMBL30370012 0.72 CYP19A1 (0.47) TAAR1KMT2ACA1CYP19A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 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 (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-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 TAAR1 47/4885ALDH1A1 1900/4885CYP3A4 646/4885

“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.