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SCHEMBL8245652

SCHEMBL8245652

CC[C@H](NC(=O)OC(C)(C)C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.59
▸ CTSS P25774 8/20 0.59
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CAPN1 P07384 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13896971 1.00 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12965802 1.00 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL5532831 0.87 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18925259 0.87 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18892598 0.87 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL23016033 0.85 CTSK (0.61) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12965804 0.85 CTSK (0.61) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15435539 0.85 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1688825 0.85 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL318796 0.85 CTSK (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212533-A1 PROCESS FOR PREPARING PURINE DERIVATIVES Cyclacel Limited (GB) 2023-07-19 — — EP disclosed
US-20230149500-A1 SMAC MIMETIC MEDIVIR AB (SE) 2023-05-18 — — US disclosed
US-20230104823-A1 PROCESS FOR THE PREPARATION OF PURINE DERIVATIVES EXHIBITING CDK INHIBITORY ACTIVITY CYCLACEL LIMITED (GB) 2023-04-06 — — US disclosed
EP-3573988-B1 PROCESS FOR PREPARING PURINE DERIVATIVES CYCLACEL LTD (GB) 2022-12-28 — — EP disclosed
WO-2021148793-A1 PROCESS FOR THE PREPARATION OF PURINE DERIVATIVES EXHIBITING CDK INHIBITORY ACTIVITY CYCLACEL LIMITED (GB) 2021-07-29 — — WO disclosed
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
US-10927113-B2 Process for preparing purine derivatives CYCLACEL LIMITED (GB) 2021-02-23 — — US disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
US-10351595-B2 — — 2019-07-16 — — US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
US-8420694-B2 Pyrrolidin-2-one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 — — US disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 — — CN disclosed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 — — EP disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 — — US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 — — US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 — — US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 — — US disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — 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 (8 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-10351595-B2 — MRPL21, PRSS1, PEPD CTSK 343/4885CTSS 95/4885CYP1A2 4529/4885
US-10927113-B2 Process for preparing purine derivatives CTR9, PNP, C5 CTSK 1798/4885CTSS 1768/4885CYP1A2 903/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC CTSK 228/4885CTSS 93/4885CYP1A2 4095/4885
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR AR, NR5A1, SHBG CTSK 4596/4885CTSS 4628/4885CYP1A2 623/4885
US-20230149500-A1 SMAC MIMETIC SMARCC1, SMARCC2, MCL1 CTSK 3104/4885CTSS 3508/4885CYP1A2 4850/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 CTSK 2063/4885CTSS 1381/4885CYP1A2 1581/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CTSK 228/4885CTSS 93/4885CYP1A2 4095/4885
US-20230104823-A1 PROCESS FOR THE PREPARATION OF PURINE DERIVATIVES EXHIBITING CDK INHIBITORY ACTIVITY CDK9, CDK19, CDK7 CTSK 1555/4885CTSS 2372/4885CYP1A2 1460/4885

“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.