SCHEMBL9947946

SCHEMBL9947946

O=C(NC1(C(=O)O)COC1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
BDKRB1 P46663 4/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24633933 0.85
SCHEMBL2722431 0.81 CA2 (0.39) CA2BDKRB1ALDH1A1POLBSMN1; SMN2
SCHEMBL20697783 0.80
SCHEMBL4330469 0.78 FABP4 (0.39) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL7347312 0.76 FABP4 (0.38) CA2ALDH1A1SMN1; SMN2
SCHEMBL19083737 0.72 FFAR3 (0.33) ALDH1A1
SCHEMBL15114561 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15219976 0.69
SCHEMBL30471330 0.67 DGAT1 (0.38) CA2BDKRB1ALDH1A1POLBSMN1; SMN2
SCHEMBL15482661 0.65 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2015-03-05 US claimed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
EP-2658848-A1 NEW BIARYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 EP claimed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US claimed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO claimed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 US claimed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 EP disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 US disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 US disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
US-8592426-B2 Aryl-benzocycloalkyl amide derivatives Hoffmann—La Roche Inc. (US) 2013-11-26 US disclosed
EP-2658848-A1 NEW BIARYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 EP disclosed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US disclosed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO disclosed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 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 (7 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-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 CA2 4144/4885BDKRB1 549/4885ALDH1A1 974/4885
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS CA2 2947/4885BDKRB1 3023/4885ALDH1A1 4844/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS CA2 2914/4885BDKRB1 3171/4885ALDH1A1 4331/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS CA2 2914/4885BDKRB1 3171/4885ALDH1A1 4331/4885
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES CYP1A1, AHR, CYP1B1 CA2 3827/4885BDKRB1 113/4885ALDH1A1 319/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS CA2 2914/4885BDKRB1 3171/4885ALDH1A1 4331/4885
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 CA2 4144/4885BDKRB1 549/4885ALDH1A1 974/4885

“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.