SCHEMBL848355

SCHEMBL848355

[CH2]C#Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
GRM5 P41594 10/20 0.47
SLC6A2 P23975 1/20 0.42
ACHE P22303 1/20 0.39
NFE2L2 Q16236 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL31286312 0.85 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL9302636 0.85 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL718613 0.79 CA12 (0.52) CA12CA2CA9CA1GRM5
SCHEMBL717450 0.79 CA12 (0.59) CA12CA2CA9CA1GRM5
SCHEMBL25490046 0.77 GRM5 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL9304700 0.77 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL29978832 0.77 GRM5 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL935880 0.77 CA12 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL15540865 0.77 CA12 (0.50) CA12CA2CA9CA1GRM5
SCHEMBL16618991 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
WO-2024128195-A1 PEPTIDE PRODUCTION METHOD COMPRISING STEP FOR TRANSLATING AMINO ACID HAVING OXYGEN ATOM AT SPECIFIC POSITION 中外製薬株式会社 2024-06-20 WO disclosed
CN-111479819-B Method for preparing peptide and method for treating alkali 中外制药株式会社 2024-06-14 CN disclosed
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
WO-2024101386-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO 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
WO-2024096023-A1 METHOD FOR REMOVING DIBENZOFULVENE OR DIBENZOFULVENE DERIVATIVE 中外製薬株式会社 2024-05-10 WO disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 WO disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
WO-2000041994-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
WO-2000042002-A1 SULPHOHYDROXAMIC ACIDS AND SULPHOHYDROXAMATES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 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 (4 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS CA12 3001/4885CA2 2947/4885CA9 2489/4885
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT KRAS, G3BP1, G3BP2 CA12 2761/4885CA2 3518/4885CA9 4225/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA12 1113/4885CA2 2242/4885CA9 1496/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS CA12 894/4885CA2 985/4885CA9 711/4885

“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.