SCHEMBL4293317

SCHEMBL4293317

C=Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CETP P11597 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CHEK1 O14757 1/20 0.40
DAO P14920 1/20 0.39
GPR3 P46089 2/20 0.39
SYK P43405 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 2/20 0.38

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
SCHEMBL31381747 1.00 PIM1 (0.49) PIM1PIM2TP53TDP1CETP
SCHEMBL19595301 0.84 PIM1 (0.52) PIM1PIM2TP53TDP1CETP
SCHEMBL21287982 0.82 PIM1 (0.50) PIM1PIM2CETPCHRM2CHRM1
SCHEMBL2012369 0.81 PIM1 (0.47) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL1045095 0.81 PIM1 (0.47) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL1045096 0.81 PIM1 (0.47) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL8350961 0.81 DRD1 (0.48) PIM1PIM2CHEK1
SCHEMBL68710 0.81 PIM1 (0.52) PIM1PIM2TDP1CHRM2CHRM1
SCHEMBL408218 0.81 TP53 (0.48) TP53TDP1ALDH1A1TSHRKIF11
SCHEMBL13790335 0.81 RELA (0.55) PIM1PIM2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP claimed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP claimed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO claimed
CN-107257813-B Block copolymers having surface active anchoring groups, compositions and methods thereof AZ电子材料卢森堡有限公司 2020-08-21 CN disclosed
EP-3259292-B1 BLOCK COPOLYMERS WITH SURFACE-ACTIVE JUNCTION GROUPS, COMPOSITIONS AND PROCESSES THEREOF AZ ELECTRONIC MAT LUXEMBOURG SARL (LU) 2020-04-08 EP disclosed
US-10259907-B2 Block copolymers with surface-active junction groups, compositions and processes thereof AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.À R.L. (LU) 2019-04-16 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
WO-2018107415-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-06-21 WO disclosed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
EP-3259292-A1 BLOCK COPOLYMERS WITH SURFACE-ACTIVE JUNCTION GROUPS, COMPOSITIONS AND PROCESSES THEREOF AZ Electronic Materials Luxembourg S.à.r.l. (LU) 2017-12-27 EP disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
EP-1551836-A1 AZABICYCLIC AMINE DERIVATIVES AS NK-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
WO-2004031190-A1 AZABICYCLIC AMINE DERIVATIVES AS NK-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-5482971-A Beta3 -adrenergic agents and their use in pharmaceutical compositions AMERICAN CYANAMID COMPANY (US) 1996-01-09 US disclosed
EP-0025159-B1 USE OF STYRENE POLYMERS FOR THE PREPARATION OF OPTICAL SYSTEM BAYER AG (DE) 1984-05-09 EP disclosed
US-4420225-A Lens of a homo- or copolymer of a fluorine containing styrene polymer BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed
EP-0025159-A2 Use of styrene polymers for the preparation of optical system BAYER AG (DE) 1981-03-18 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 (4 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-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS PIM1 4117/4885PIM2 3776/4885TP53 4633/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PIM1 1939/4885PIM2 2353/4885TP53 4008/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 PIM1 3275/4885PIM2 2674/4885TP53 4855/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C PIM1 1968/4885PIM2 2228/4885TP53 2809/4885

“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.