SCHEMBL497629

SCHEMBL497629

c1csc([C]2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
ADRB2 P07550 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.36
FBP1 P09467 1/20 0.36
PDK1 Q15118 1/20 0.36
ADORA2A P29274 5/20 0.35
SMPD3 Q9NY59 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ADORA1 P30542 4/20 0.34
METAP1 P53582 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
SCHEMBL1606338 0.98 PDPK1 (0.43) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL5810324 0.96 PDPK1 (0.42) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL498174 0.90
SCHEMBL102331 0.76 PDPK1 (0.59) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL30632310 0.73 PDPK1 (0.56) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL31556353 0.73 PDPK1 (0.56) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL30534095 0.73 PDPK1 (0.56) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL28154527 0.73 PDPK1 (0.56) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL9455093 0.71 PDPK1 (0.37) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL2052306 0.70 PDPK1 (0.36) PDPK1LOXL2ADRB2CYP2A6ALDH1A1

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-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
CN-101848897-A Gamma secretase modulators SCHERING CORP 2010-09-29 CN disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 EP disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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 (3 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDPK1 803/4885LOXL2 3325/4885ADRB2 2009/4885
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT PDPK1 423/4885LOXL2 1300/4885ADRB2 1763/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI PDPK1 286/4885LOXL2 2869/4885ADRB2 1651/4885

“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.