SCHEMBL7228124

SCHEMBL7228124

CC(C)C[S+]([O-])NC(C)(c1ccc(C#N)c(F)c1)c1cncn1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
FNTA P49354 10/20 0.35
FNTB P49356 10/20 0.35
PGGT1B P53609 8/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR1 P21453 1/20 0.34
CACNA1H O95180 2/20 0.33

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
SCHEMBL7222612 0.92 CYP11B1 (0.34) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7673303 0.85 CYP11B1 (0.35) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7221516 0.81 CYP11B1 (0.37) CYP11B1CYP11B2S1PR3S1PR1CACNA1H
SCHEMBL7673750 0.81 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7736904 0.75 S1PR3 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7222091 0.74 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7672909 0.74 CYP17A1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7220321 0.74 FNTA (0.41) FNTAFNTBPGGT1BS1PR3S1PR1
Hydrochloric Acid SCHEMBL7220637 0.73 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7701717 0.73 FNTB (0.39) FNTAFNTBPGGT1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566385-B2 And the prenylation of the oncogene protein Ras; peptidomimetic macrocyclic compounds MERCK & CO., INC. 2003-05-20 US disclosed
US-6525074-B2 Peptidomimetic macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras MERCK & CO., INC. 2003-02-25 US disclosed
US-20020099007-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
US-6413964-B1 14-AMINO-14-(1-METHYL-1H-IMIDAZOL-5-YL)-8-OXA-2-THIA-1,18 -DIAZATETRACYCLO(16.2.2.1(3,7).1(9,13))TETRACOSA-3(24),4,6, 9(23),10,12-HEXAENE-10-CARBONITRILE 2,2-DIOXIDE, FOR EXAMPLE; USE IN RADIOTHERAPY, CHEMOTHERAPY AS SENSITIZER MERCK & CO., INC. 2002-07-02 US disclosed
US-20020049217-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease MERCK & CO., INC. 2002-03-28 US disclosed
US-6284755-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-09-04 US disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 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 (3 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-20020049217-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS CYP11B1 2070/4885CYP11B2 2682/4885FNTA 1/4885
US-20020099007-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS CYP11B1 2070/4885CYP11B2 2682/4885FNTA 1/4885
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease FNTA, PKD1, FNTB CYP11B1 3154/4885CYP11B2 3807/4885FNTA 1/4885

“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.