SCHEMBL1097014

SCHEMBL1097014

COc1ccc(Br)c(CC(=O)Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL1097958 0.88 HSD17B10 (0.46) HSD17B10HPGDPTGS1AKR1C3AKR1C2
SCHEMBL10624636 0.87 HSD17B10 (0.49) HSD17B10HPGDPTGS1AKR1C3AKR1C2
SCHEMBL2742615 0.85 HSD17B10 (0.68) HSD17B10HPGDPTGS1AKR1C3AKR1C2
SCHEMBL898733 0.83 HPGD (0.52) HSD17B10HPGDPTGS1AKR1C3AKR1C2
Bromide SCHEMBL29853696 0.83 HSD17B10 (0.66) HSD17B10HPGDPTGS1AKR1C3AKR1C2
SCHEMBL29853520 0.83 HPGD (0.52) HSD17B10HPGDPTGS1AKR1C3AKR1C2
SCHEMBL16836022 0.81 HSD17B10 (0.50) HSD17B10PTGS1AKR1C3AKR1C2POLB
SCHEMBL30660236 0.81 HSD17B10 (0.73) HSD17B10
SCHEMBL892777 0.81 HSD17B10 (0.73) HSD17B10
SCHEMBL8237110 0.81 HSD17B10 (0.50) HSD17B10PTGS1AKR1C3AKR1C2POLB

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 10 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
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
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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 (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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 HSD17B10 68/4885HPGD 84/4885PTGS1 7/4885
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HSD17B10 4331/4885HPGD 891/4885PTGS1 1409/4885

“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.