SCHEMBL615910

SCHEMBL615910

C=CCOCC(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PPARA Q07869 2/20 0.41
CTSK P43235 8/20 0.40
CTSS P25774 5/20 0.40
CTSL P07711 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSB P07858 1/20 0.40
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KLK5 Q9Y337 2/20 0.37
KLK7 P49862 1/20 0.37

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
SCHEMBL615909 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL1604541 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL15727302 0.90 SMN1; SMN2 (0.42) SMN1; SMN2CTSKCTSSCTSLNFKB1
SCHEMBL15727246 0.89 SMN1; SMN2 (0.43) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL23736344 0.89 SMN1; SMN2 (0.42) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL17884308 0.88 PPARA (0.42) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL614209 0.87 PPARA (0.53) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL1430675 0.87 PPARA (0.53) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL614208 0.87 PPARA (0.53) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL7541004 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CTSKCTSSCTSLNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011042399-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-14 WO disclosed
US-20110082294-A1 NOVEL BICYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-07 US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 US disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 WO disclosed
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 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-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885PPARA 4860/4885CTSK 85/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885PPARA 4860/4885CTSK 85/4885
US-20110082294-A1 NOVEL BICYCLIC COMPOUNDS CCR2, CCR3, CCR1 SMN1; SMN2 4525/4885PPARA 534/4885CTSK 2628/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885PPARA 4860/4885CTSK 85/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 SMN1; SMN2 2726/4885PPARA 3658/4885CTSK 16/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885PPARA 4860/4885CTSK 85/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885PPARA 4860/4885CTSK 85/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 SMN1; SMN2 4567/4885PPARA 4210/4885CTSK 165/4885

“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.