SCHEMBL218840

SCHEMBL218840

[NH]C(=O)c1cccc(F)c1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 6/20 0.68
▸ CES1 P23141 6/20 0.68
▸ BCHE P06276 1/20 0.68
▸ HPGD P15428 2/20 0.52
▸ ALB P02768 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KAT6A Q92794 2/20 0.44
▸ GAA P10253 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ ERCC5 P28715 1/20 0.37
▸ FEN1 P39748 1/20 0.37

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
SCHEMBL3184940 0.81 CES2 (1.00) CES2CES1BCHEHPGDALB
SCHEMBL3440833 0.81 CES2 (0.74) CES2CES1BCHEHPGDALB
SCHEMBL217425 0.81 CES2 (0.65) CES2CES1BCHEHPGDALB
SCHEMBL365453 0.79 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL31537534 0.79 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL7445318 0.79 CES2 (0.67) CES2CES1BCHEHPGDALDH1A1
SCHEMBL1386835 0.79 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL6441124 0.79 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL2090285 0.77 CES2 (0.68) CES2CES1BCHEHPGDALB
SCHEMBL104744 0.77 CES2 (0.68) CES2CES1BCHEHPGDALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-18 — — US disclosed
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 — — EP disclosed
US-9611348-B2 Process of producing polyolefins using metallocene polymerization catalysts and copolymers therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-04-04 — — US disclosed
EP-2984111-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2016-02-17 — — EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-8957159-B2 Multiple catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-02-17 — — US disclosed
US-20140316085-A1 Process of Producing Polyolefins Using Metallocene Polymerization Catalysts and Copolymers Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 — — US disclosed
WO-2014169017-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-16 — — WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
US-7524910-B2 Polyolefin adhesive compositions and articles made therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-04-28 — — US disclosed
US-20090069475-A1 Multiple catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2009-03-12 — — US disclosed
US-20070293640-A1 Multiple catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2007-12-20 — — US disclosed
US-7294681-B2 Mutliple catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-13 — — US disclosed
US-7223822-B2 Multiple catalyst and reactor system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-29 — — US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 — — US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 — — EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 — — US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 — — 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 (2 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CES2 3791/4885CES1 2980/4885BCHE 4633/4885
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP51A1, CBR3 CES2 154/4885CES1 339/4885BCHE 267/4885

“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.

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