SCHEMBL1098529

SCHEMBL1098529

COc1cc(CC(=O)O)c(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
GAA P10253 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA9 Q16790 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SELP P16109 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29431303 0.87 HSD17B10 (0.47) HSD17B10GAACA12CA1CA2
SCHEMBL22774455 0.87 HSD17B10 (0.47) HSD17B10GAACA12CA1CA2
SCHEMBL30554807 0.86 CA1 (0.55) HSD17B10GAACA12CA1CA2
SCHEMBL1098115 0.86 CA1 (0.55) HSD17B10GAACA12CA1CA2
SCHEMBL14430306 0.84 SMN1; SMN2 (0.47) CA12CA1CA2NPSR1CA9
SCHEMBL1097015 0.82 HSD17B10 (0.49) HSD17B10GAACA12CA1CA2
SCHEMBL2774619 0.82 LCK (0.54) HSD17B10GAACA12CA1CA2
SCHEMBL5099200 0.82 GAA (0.53) HSD17B10GAACA12CA1CA2
SCHEMBL3409461 0.81 HSD17B10 (0.51) HSD17B10GAANPSR1MTNR1AMTNR1B
SCHEMBL30053264 0.81 HSD17B10 (0.51) HSD17B10GAANPSR1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2382192-A2 DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HSD17B10 4331/4885GAA 4041/4885CA12 4823/4885

“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.