SCHEMBL2318522

SCHEMBL2318522

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.43
CTSK P43235 10/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1888284 1.00 CA1 (0.50) CA1CA2CA7CA12CA14
SCHEMBL1888283 1.00 CA1 (0.50) CA1CA2CA7CA12CA14
Hydrochloric Acid SCHEMBL3606870 0.98 CA1 (0.49) CA1CA2CA7CA12CA14
SCHEMBL4327755 0.93 KMT2A (0.46) CA1CA2CA7CA12CA14
SCHEMBL9136842 0.93 KMT2A (0.46) CA1CA2CA7CA12CA14
SCHEMBL4327766 0.93 KMT2A (0.46) CA1CA2CA7CA12CA14
SCHEMBL8723190 0.91 CA1 (0.44) CA1CA2CA7CA12CA14
SCHEMBL13804888 0.86 CA1 (0.42) CA1CA2CA7CA12CA14
SCHEMBL2171444 0.84 CA1 (0.47) CA1CA2CA7CA12CA14
SCHEMBL875372 0.84 CA1 (0.47) CA1CA2CA7CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20240190837-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS SYCHRONICITY PHARMA INC (US) 2024-06-13 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO disclosed
EP-0325485-B1 Preparation of amino acid derivatives HAMPSHIRE CHEMICAL CORP (US) 1994-08-03 EP disclosed
US-5242943-A Administering as beta adrenoceptor blocking agents Louis, William J. (AU) 1993-09-07 US disclosed
US-5051445-A Cardiovascular disorders such as antiarrhythmia or cardiotonic agents, adrenergic blocking agents Louis, William J. (AU) 1991-09-24 US disclosed
US-4855455-A Preparation of amino acid derivatives W. R. GRACE & CO.-CONN. (US) 1989-08-08 US disclosed
EP-0325485-A2 Preparation of amino acid derivatives HAMPSHIRE CHEMICAL CORPORATION (US) 1989-07-26 EP disclosed
EP-0177515-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1989-05-31 EP disclosed
EP-0177515-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-09-23 EP disclosed
EP-0177515-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-04-16 EP disclosed
WO-1985004403-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ LTD. (CH) 1985-10-10 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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 CA1 4807/4885CA2 3558/4885CA7 4266/4885
US-20240190837-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS CRY1, CRY2, HCCS CA1 1660/4885CA2 592/4885CA7 604/4885
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 CA1 1248/4885CA2 3017/4885CA7 4138/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 CA1 4807/4885CA2 3558/4885CA7 4266/4885

“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.