SCHEMBL2091982

SCHEMBL2091982

COCc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 4/20 0.44
DRD2 P14416 4/20 0.43
PDK2 Q15119 1/20 0.42
GRIN2B Q13224 3/20 0.41
GRIN1 Q05586 1/20 0.41
CYP1A2 P05177 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL2091568 0.83 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL18355261 0.82 IDO1 (0.46) IDO1PDK2KCNH2ALDH1A1
SCHEMBL1715651 0.81 IDO1 (0.58) IDO1SLC6A3SLC6A2SLC6A4GRIN2B
SCHEMBL2091979 0.81 SLC6A3 (0.43) IDO1SLC6A3SLC6A2SLC6A4DRD2
SCHEMBL7342115 0.81 GRIN2B (0.41) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL12356638 0.80 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL1046654 0.80 MAPT (0.48) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL2093375 0.80 SLC6A4 (0.45) SLC6A3SLC6A2SLC6A4DRD2PDK2
Hydrochloric Acid SCHEMBL1715608 0.79 IDO1 (0.59) IDO1GRIN2BGRIN1
SCHEMBL20002888 0.79 NR1I2 (0.41) IDO1SLC6A3SLC6A2SLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-7994167-B2 Pentafluorosulphanyl-substituted compound and its use for producing medicaments GRUENENTHAL GMBH (DE) 2011-08-09 US disclosed
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments GRUENENTHAL GMGH (DE) 2009-05-28 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 890/4885SLC6A3 1231/4885SLC6A2 3967/4885
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA IDO1 879/4885SLC6A3 4654/4885SLC6A2 4762/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 IDO1 2665/4885SLC6A3 3737/4885SLC6A2 3591/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885SLC6A3 2477/4885SLC6A2 4510/4885
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments FIBP, PFAS, FPR3 IDO1 4634/4885SLC6A3 4087/4885SLC6A2 4244/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 912/4885SLC6A3 1037/4885SLC6A2 3904/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA IDO1 546/4885SLC6A3 4629/4885SLC6A2 4816/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA IDO1 685/4885SLC6A3 4485/4885SLC6A2 4720/4885

“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.