SCHEMBL1481978

SCHEMBL1481978

O=C(CBr)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
HTT P42858 2/20 0.39
GSK3B P49841 9/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL8355392 0.87 TAS1R3 (0.42) PTPN1HTTGSK3BPKMSMN1; SMN2
SCHEMBL7024101 0.77 HTT (0.48) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL13437812 0.76 PTPN1 (0.32) PTPN1GSK3B
SCHEMBL6194822 0.75 PTPN1 (0.48) PTPN1GSK3BCES2CES1
SCHEMBL1784332 0.74 HTT (0.41) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL22321449 0.73 HPGDS (0.42) PTPN1HTTGSK3BSMN1; SMN2LMNA
SCHEMBL14517812 0.72 HTT (0.39) HTTGSK3BCES2CES1PKM
SCHEMBL11122131 0.72 MEN1 (0.44) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL1278384 0.70 CES2 (0.56) PTPN1GSK3BCES2CES1LMNA
SCHEMBL13670601 0.70 HTT (0.43) HTTCES2CES1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
US-8163921-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
US-7772260-B2 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-08-10 US disclosed
US-7741349-B2 Imidazo[2, 1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
US-7714003-B2 Imidazo[2,1-b ]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-05-11 US disclosed
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-01-25 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20050069492-A1 Imidazo [2,1-b]-1,3,4-thiadiazole suflonamides PHARMASCIENCE INC. (CA) 2005-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
US-20040186151-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-23 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed
WO-2004071448-A2 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed
US-6545009-B1 Imidazole, oxazole and thiazole derivatives for regulation of peroxisome proliferator-activated receptor function; improving insulin resistance, treating impaired glucose tolerance and obesity, enhancing insulin sensitivity, etc. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-08 US disclosed
EP-1092711-A1 RETINOID-ASSOCIATED RECEPTOR REGULATORS Takeda Chemical Industries, Ltd. (JP) 2001-04-18 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 (5 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PTPN1 10/4885HTT 4110/4885GSK3B 280/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 PTPN1 2745/4885HTT 1489/4885GSK3B 2675/4885
US-20040186151-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PTPN1 10/4885HTT 4110/4885GSK3B 280/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PTPN1 10/4885HTT 4110/4885GSK3B 280/4885
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF PTPN1 1370/4885HTT 1444/4885GSK3B 2761/4885

“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.