SCHEMBL533467

SCHEMBL533467

Fc1cccc(F)c1-c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
DHODH Q02127 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL3539223 0.85 PTGES (0.38) TTRNPC1RAB9ALMNACASP3
SCHEMBL695343 0.80 SYK (0.45) CA1CA2CA7CA9L3MBTL1
SCHEMBL27959529 0.78 ESR1 (0.31)
SCHEMBL5390122 0.76 TTR (0.58) TTRDHODHNPC1RAB9ALMNA
SCHEMBL2753210 0.75 TTR (0.38) TTRNPC1RAB9ALMNA
SCHEMBL534039 0.75 WDR5 (0.39) DHODHCES2CES1
SCHEMBL5542727 0.74
SCHEMBL13615034 0.74 TTR (0.56) TTRDHODHNPC1RAB9ACASP3
Hydrochloric Acid SCHEMBL30833257 0.74 TTR (0.56) TTRDHODHNPC1RAB9ALMNA
SCHEMBL433551 0.73 L3MBTL1 (0.43) NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
EP-2782565-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES Bayer Intellectual Property GmbH (DE) 2014-10-01 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
WO-2013076230-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 WO disclosed
CN-101277740-B Antituberculous composition comprising azole compound OTSUKA PHARMA CO LTD 2012-12-05 CN disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
US-4568376-A BOTH PRE- AND POST-EMERGENCE PHYTOTOXICITY; PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1986-02-04 US disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 TTR 1507/4885DHODH 43/4885NPC1 4195/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TTR 4377/4885DHODH 3496/4885NPC1 3585/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TTR 1642/4885DHODH 1405/4885NPC1 4528/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TTR 4636/4885DHODH 3714/4885NPC1 3814/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 TTR 1028/4885DHODH 1796/4885NPC1 1105/4885

“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.