SCHEMBL1128727

SCHEMBL1128727

CC(C)Cc1cc(C(=O)O)no1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
MAPK1 P28482 1/20 0.56
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL17761981 0.85 MAPT (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL13732349 0.84 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL3066648 0.84 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL2791167 0.84 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL21938816 0.81 RAB9A (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL1225966 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL23189127 0.80 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL2131964 0.79 TP53 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17761982 0.78 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL744240 0.76 NOTUM (0.48) ALDH1A1SMN1; SMN2MAPTHPGDHTT

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20200115350-A1 Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION 2020-04-16 US disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
WO-2008130322-A1 NOVEL 5-HETEROCYCLYL-CHROMANE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008043263-A1 ISOXAZOLE DERIVATIVES AND METHODS OF TREATING DISEASES DOU, DEXIAN (CN) 2008-04-17 WO disclosed
US-20080085912-A1 Isoxazole derivatives and methods of treating diseases UNITECH PHARMACEUTICALS, INC. 2008-04-10 US disclosed
US-20080085912-A1 Isoxazole derivatives and methods of treating diseases UNITECH PHARMACEUTICALS, INC. 2008-04-10 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 (8 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-20080085912-A1 Isoxazole derivatives and methods of treating diseases HLA-DRB1, XDH, EPX ALDH1A1 749/4885RAB9A 4112/4885NPC1 1915/4885
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 ALDH1A1 373/4885RAB9A 808/4885NPC1 2706/4885
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 ALDH1A1 493/4885RAB9A 334/4885NPC1 1167/4885
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2895/4885RAB9A 1179/4885NPC1 1282/4885
US-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 ALDH1A1 973/4885RAB9A 785/4885NPC1 747/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 ALDH1A1 2324/4885RAB9A 2257/4885NPC1 2053/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 ALDH1A1 560/4885RAB9A 2602/4885NPC1 1020/4885
US-20200115350-A1 Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors HDAC1, HDAC7, HDAC5 ALDH1A1 166/4885RAB9A 3174/4885NPC1 1074/4885

“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.