SCHEMBL17920

SCHEMBL17920

Cn1nc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.71
SORT1 Q99523 3/20 0.71
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
KLKB1 P03952 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CTSL P07711 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
Hydrochloric Acid SCHEMBL8932269 0.98 GRN (0.69) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL26250857 0.86 GRN (0.67) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL2355530 0.86 GRN (0.67) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL13064210 0.85 KDM4E (0.51) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL951323 0.84 KDM4E (0.50) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL17732 0.84 KDM4E (0.50) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL1572486 0.83 GRN (1.00) GRNSORT1KDM4ERAB9ANPC1
SCHEMBL13020360 0.82 KDM4E (0.53) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL30305711 0.82 KDM4E (0.49) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL22649482 0.82 GRN (0.61) GRNSORT1KDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
US-20240011009-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2024-01-11 US claimed
US-20230220589-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2023-07-13 US claimed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 US claimed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US claimed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 US claimed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US claimed
US-8754075-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-17 US claimed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
EP-2697208-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-02-19 EP claimed
CN-103502227-A 1 as BACE1 and/or BACE2 inhibitors HOFFMANN LA ROCHE 2014-01-08 CN claimed
WO-2012139993-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-18 WO claimed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 US claimed
EP-0350176-B1 Method for preparing pyrazolecarboxylic acid and derivatives NISSAN CHEMICAL IND LTD (JP) 1995-08-30 EP claimed
EP-0350176-A2 Method for preparing pyrazolecarboxylic acid and derivatives NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1990-01-10 EP claimed
WO-2026106929-A1 DIHYDROQUINAZOLINES USEFUL AS CYTOMEGALOVIRUS ANTIVIRAL AGENTS ASSEMBLY BIOSCIENCES, INC. (US) 2026-05-21 WO disclosed
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors ACTIO BIOSCIENCES, INC. (US) 2026-05-19 US disclosed
US-5053517-A PROCESS FOR PREPARING PYRAZOLECARBOXYLIC ACID COMPOUNDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-10-01 US disclosed
EP-0350176-A2 Method for preparing pyrazolecarboxylic acid and derivatives NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1990-01-10 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 (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-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 GRN 1228/4885SORT1 1750/4885KDM4E 2102/4885
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors KCNT1, KCNT2, KCNJ2 GRN 4704/4885SORT1 4702/4885KDM4E 2324/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 GRN 1228/4885SORT1 1750/4885KDM4E 2102/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 GRN 3893/4885SORT1 4466/4885KDM4E 225/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 GRN 1228/4885SORT1 1750/4885KDM4E 2102/4885

“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.