SCHEMBL319598

SCHEMBL319598

Oc1cc(F)c(C(F)(F)F)cc1I

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.41
GPR3 P46089 1/20 0.33
CFTR P13569 1/20 0.31
KDM1A O60341 1/20 0.31
MCL1 Q07820 1/20 0.31
CES2 O00748 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
HSP90AA1 P07900 1/20 0.30
SNCA P37840 1/20 0.30

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
SCHEMBL320223 0.91 KIF11 (0.41) KIF11GPR3CFTRKDM1AMCL1
SCHEMBL17378834 0.83 KIF11 (0.37) KIF11CFTRMCL1CES2
SCHEMBL10697706 0.79 KIF11 (0.45) KIF11GPR3KDM1AMCL1PTPN7
SCHEMBL17959909 0.77 TMPRSS4 (0.38) HSP90AA1
SCHEMBL31379539 0.77 TMPRSS4 (0.38) HSP90AA1
SCHEMBL18894055 0.76 CA9 (0.36) HSP90AA1
SCHEMBL16179246 0.75 KIF11 (0.45) KIF11GPR3KDM1AMCL1PTPN7
SCHEMBL30945180 0.75 KIF11 (0.45) KIF11GPR3KDM1AMCL1PTPN7
SCHEMBL29556547 0.75 KIF11 (0.36) KIF11GPR3CFTRKDM1A
SCHEMBL16035567 0.75 KIF11 (0.36) KIF11GPR3CFTRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253755-B1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER (US) 2020-08-26 EP disclosed
CN-107406445-B Cyclopropylbenzofuranyl pyridopyrazine diones 辉瑞公司 2019-12-24 CN disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 US disclosed
WO-2016125048-A1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER INC. (US) 2016-08-11 WO disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
CN-102348697-A Sulfonamide derivatives PFIZER LTD 2012-02-08 CN disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
EP-2385938-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2011-11-16 EP disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 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 (3 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 KIF11 2498/4885GPR3 1300/4885CFTR 995/4885
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B KIF11 1259/4885GPR3 1887/4885CFTR 550/4885
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B KIF11 1259/4885GPR3 1887/4885CFTR 550/4885

“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.