SCHEMBL1004198

SCHEMBL1004198

NC(=O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.58
CA2 P00918 13/20 0.58
CA4 P22748 2/20 0.58
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA9 Q16790 10/20 0.41
DGAT1 O75907 1/20 0.39
PARP1 P09874 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
SCHEMBL29937442 0.86 CA1 (0.50) CA1CA2CA4CES2CES1
SCHEMBL811680 0.80 POLB (0.41) CA1CA2CA4CES2CES1
SCHEMBL3694281 0.80 CA1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL28298959 0.77 POLB (0.39) CA1CA2CA4CES2CES1
SCHEMBL161645 0.77 CES2 (0.42) CA1CA2CA4CES2CES1
SCHEMBL7146004 0.77 CES2 (0.46) CA1CA2CA4CES2CES1
SCHEMBL30816046 0.77 POLB (0.41) CA1CA2CA4CES2CES1
SCHEMBL29782972 0.77 CES2 (0.46) CA1CA2CA4CES2CES1
SCHEMBL200974 0.77 CA1 (0.40) CA1CA2CA4CES2CES1
SCHEMBL9693672 0.76 CA1 (0.61) CA1CA2CA4CES2CES1

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-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7205440-B2 Method of producing amines LANXESS DEUTSCHLAND GMBH (DE) 2007-04-17 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050113582-A1 Method for producing amines LANXESS DEUTSCHLAND GMBH (DE) 2005-05-26 US claimed
EP-1472212-A1 METHOD FOR PRODUCING AMINES Bayer Chemicals AG (DE) 2004-11-03 EP claimed
WO-2003051817-A1 METHOD FOR PRODUCING AMINES BAYER CHEMICALS AG (DE) 2003-06-26 WO claimed
EP-3751336-B1 DISPLAY SUBSTRATE AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO LTD (CN) 2026-05-06 EP disclosed
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed
US-20220336543-A1 DISPLAY SUBSTRATE AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2022-10-20 US disclosed
US-20220328572-A1 DISPLAY SUBSTRATE AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2022-10-13 US disclosed
US-11462591-B2 Display device comprising a specified arrangement of sub-pixels and spacers BOE TECHNOLOGY GROUP CO., LTD. (CN) 2022-10-04 US disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20050113582-A1 Method for producing amines LANXESS DEUTSCHLAND GMBH (DE) 2005-05-26 US disclosed
EP-1472212-A1 METHOD FOR PRODUCING AMINES Bayer Chemicals AG (DE) 2004-11-03 EP disclosed
WO-2003051817-A1 METHOD FOR PRODUCING AMINES BAYER CHEMICALS AG (DE) 2003-06-26 WO disclosed
WO-1997040007-A1 2,3,5,6-TETRAFLUOROBENZOIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed
WO-1997040007-A1 2,3,5,6-TETRAFLUOROBENZOIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 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 (1 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-20050113582-A1 Method for producing amines HNMT, TYR, INMT CA1 1952/4885CA2 880/4885CA4 672/4885

“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.