SCHEMBL996130

SCHEMBL996130

Nc1cc(C(F)(F)F)ccc1-n1cccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
PKM P14618 1/20 0.61
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
G6PD P11413 1/20 0.42
TDO2 P48775 1/20 0.41
IDH2 P48735 1/20 0.40
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 3/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
NTRK1 P04629 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 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
SCHEMBL20336332 0.88 ALDH1A1 (0.49) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL12750055 0.83 ALDH1A1 (0.43) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL10104439 0.83 ALDH1A1 (0.43) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL10348129 0.81 ALDH1A1 (0.42) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL18587118 0.80 ALDH1A1 (0.42) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL21894119 0.79 KCNN4 (0.50) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL18608785 0.78 ALDH1A1 (0.42) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL17141721 0.78 MEN1 (0.59) ALDH1A1PKMKDM4ELMNAMEN1
SCHEMBL9945328 0.78 ALDH1A1 (0.57) ALDH1A1PKMKDM4ELMNAHCRTR1
SCHEMBL1956156 0.78 ALDH1A1 (0.42) ALDH1A1PKMKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 US disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed
EP-3800183-A1 UREA DERIVATIVES AS TRK-INHIBITING COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2021-04-07 EP disclosed
EP-3459935-B1 UREA DERIVATIVE AS TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO (JP) 2020-12-23 EP disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 WO disclosed
US-10765676-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2020-09-08 US disclosed
US-10399959-B2 Acid-addition salt of Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
US-20190231777-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-01 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 WO disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (6 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 ALDH1A1 1477/4885PKM 4666/4885KDM4E 1036/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 ALDH1A1 1546/4885PKM 4579/4885KDM4E 1040/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 ALDH1A1 1431/4885PKM 4631/4885KDM4E 1035/4885
US-20190231777-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TRPV1 ALDH1A1 2491/4885PKM 1771/4885KDM4E 2556/4885
US-10765676-B2 Trk-inhibiting compound LTK, ROR1, TRPV1 ALDH1A1 2491/4885PKM 1771/4885KDM4E 2556/4885
US-10399959-B2 Acid-addition salt of Trk-inhibiting compound NTRK1, NGF, NTRK2 ALDH1A1 2939/4885PKM 2250/4885KDM4E 4148/4885

“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.