SCHEMBL90933

SCHEMBL90933

Cc1ccc2c(c1)OCOC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.36
TERT O14746 1/20 0.35
MAPT P10636 7/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
CASP1 P29466 2/20 0.34
HBB P68871 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33

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
SCHEMBL7938899 0.84 MMP12 (0.40) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL8533498 0.83
SCHEMBL8251512 0.82 MAPT (0.41) MMP12MAPTALDH1A1GAAHSD17B10
SCHEMBL1906239 0.76 BLM (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL994489 0.76 MAPT (0.44) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL5373991 0.76 ALOX5 (0.30)
SCHEMBL3331065 0.76 CYP3A4 (0.55) MAPTALDH1A1RAB9A
SCHEMBL6490064 0.76 ADRA2A (0.36)
SCHEMBL30338444 0.76 APEX1 (0.34) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL1046470 0.76 ALOX5 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 US disclosed
US-9216969-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-12-22 US disclosed
EP-2291369-B1 BENZODIOXINYL SUBSTITUTED INDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
EP-2578571-B1 Isoquinoline modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2015-09-16 EP disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 US disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-7388017-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-17 US disclosed
WO-2007087066-A2 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 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 (7 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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MMP12 2682/4885TERT 2894/4885MAPT 4509/4885
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD MMP12 292/4885TERT 1612/4885MAPT 2859/4885
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP MMP12 4830/4885TERT 2993/4885MAPT 2111/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C MMP12 4703/4885TERT 3331/4885MAPT 3210/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 MMP12 4757/4885TERT 2408/4885MAPT 4334/4885
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 MMP12 370/4885TERT 2435/4885MAPT 2839/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MMP12 2682/4885TERT 2894/4885MAPT 4509/4885

“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.