SCHEMBL583480

SCHEMBL583480

CC(C)(C)OC(=O)CC(=O)C[C@H](O)CC#N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.39
CTSK P43235 11/20 0.39
CYP2D6 P10635 1/20 0.38
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL583479 1.00 CTSS (0.39) CTSSCTSKCYP2D6CTSLCTSB
SCHEMBL6157182 0.86 CYP2D6 (0.41) CTSSCTSKCYP2D6CTSLCTSB
SCHEMBL8969812 0.86 CYP2D6 (0.41) CTSSCTSKCYP2D6CTSLCTSB
SCHEMBL27867336 0.83 CTSS (0.37) CTSSCTSKCYP2D6CTSLCTSB
SCHEMBL29133366 0.83 MGAM (0.35)
SCHEMBL1171593 0.80 CYP2D6 (0.41) CTSKCYP2D6HDAC3HDAC1HDAC2
SCHEMBL1135983 0.80 CYP2D6 (0.41) CTSKCYP2D6HDAC3HDAC1HDAC2
SCHEMBL16903727 0.80 CYP2D6 (0.41) CTSSCTSKCYP2D6HDAC3HDAC1
SCHEMBL27923564 0.80 CYP2D6 (0.41) CTSSCTSKCYP2D6HDAC3HDAC1
SCHEMBL711473 0.79 CYP2D6 (0.42) CTSSCTSKCYP2D6CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634944-A Method for applying co-expression vector to preparation of atorvastatin intermediate 江苏阿尔法药业有限公司 2022-06-17 CN claimed
EP-1727795-B1 PROCESS FOR THE PRODUCTION OF ATORVASTATIN CALCIUM IN AMORPHOUS FORM RANBAXY LAB LTD (IN) 2012-02-15 EP claimed
US-7994343-B2 Process for the production of atorvastatin calcium in amorphous form RANBAXY LABORATORIES LIMITED (IN) 2011-08-09 US claimed
EP-1963516-B1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2011-02-23 EP claimed
US-20100197941-A1 Process for the production of atorvastatin calcium in amorphous form RANBAXY LABORATORIES LIMITED (IN) 2010-08-05 US claimed
EP-1659110-A1 Process for the production of atorvastatin calcium un amorphous form Ranbaxy Laboratories Limited (IN) 2006-05-24 EP claimed
EP-1577297-A1 Process for the production of atorvastatin calcium in amorphous form RANBAXY LABORATORIES, LTD. (IN) 2005-09-21 EP claimed
US-20250368641-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORP (US) 2025-12-04 US disclosed
US-12441727-B2 Tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2025-10-14 US disclosed
US-12441742-B2 Naphthyridine compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2025-10-14 US disclosed
US-12378243-B2 Quinoline compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2025-08-05 US disclosed
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORP (US) 2025-06-12 US disclosed
EP-4548918-A2 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2025-05-07 EP disclosed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
US-5149837-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1992-09-22 US disclosed
US-5124482-A Process for trans-6-(2-substituted-pyrrol-1-yl)alkyl)pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed
US-5097045-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
US-5003080-A Process for trans-6-(2-(substituted-pyrrol-1-yl)alkyl)pryan-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1991-03-26 US disclosed
EP-0330172-A2 Improved process for trans-6-[2-(substituted-pyrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1989-08-30 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 (6 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-12441727-B2 Tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS CTSS 2083/4885CTSK 1576/4885CYP2D6 3160/4885
US-12441742-B2 Naphthyridine compounds as inhibitors of KRAS KRAS, NRAS, HRAS CTSS 2289/4885CTSK 1637/4885CYP2D6 2338/4885
US-12378243-B2 Quinoline compounds as inhibitors of KRAS KRAS, NRAS, HRAS CTSS 2184/4885CTSK 1544/4885CYP2D6 2530/4885
US-20100197941-A1 Process for the production of atorvastatin calcium in amorphous form HMGCR, CACYBP, SARAF CTSS 1464/4885CTSK 666/4885CYP2D6 1750/4885
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS CTSS 1632/4885CTSK 1218/4885CYP2D6 2925/4885
US-20250368641-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS CTSS 2184/4885CTSK 1544/4885CYP2D6 2530/4885

“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.