SCHEMBL189013

SCHEMBL189013

CS(=O)(=O)OCc1cc(-c2ccc(OCc3ccccc3)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
TDP1 Q9NUW8 3/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMPD1 P17405 1/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6042615 0.86 RAB9A (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL14294198 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL14707191 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL323763 0.81 SMPD1 (0.44) SMPD1
SCHEMBL190599 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL189559 0.80 NOTUM (0.66) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL190469 0.80 NOTUM (0.66) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL190343 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL189840 0.79 RAB9A (0.59) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL30948341 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401263-B1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO LTD (KR) 2016-02-17 EP disclosed
US-8828992-B2 Substituted azole derivatives, pharmaceutical composition containing the derivatives, and method for treating Parkinson's disease using the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-09 US disclosed
EP-2401263-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK Biopharmaceuticals Co., Ltd. (KR) 2012-01-04 EP disclosed
US-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO., LTD. 2011-12-08 US disclosed
WO-2010098600-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK HOLDINGS CO., LTD. (KR) 2010-09-02 WO disclosed
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 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 (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-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME MAOB, MAOA, PARK7 RAB9A 1245/4885NPC1 1852/4885SMN1; SMN2 268/4885
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity PPARG, PPARA, PPARD RAB9A 2782/4885NPC1 1042/4885SMN1; SMN2 4709/4885

“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.