Sugi Predict

Sugi Predict / Compounds / SCHEMBL613872

SCHEMBL613872

SCHEMBL613872

C=CC(NCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL1517802 1.00 MAPT (0.32) MAPTMEN1KMT2AGAACYP2D6
SCHEMBL1730363 1.00 MAPT (0.32) MAPTMEN1KMT2AGAACYP2D6
SCHEMBL4955605 0.85 EPHX1 (0.37) GAAALDH1A1
SCHEMBL1121020 0.85 CA12 (0.40) SMN1; SMN2ALDH1A1ITGA4ITGB7
SCHEMBL3427694 0.80 CTSK (0.33) SMN1; SMN2
SCHEMBL6852920 0.80 CTSK (0.33) SMN1; SMN2
SCHEMBL17162508 0.77 DGAT1 (0.33) KMT2ASMN1; SMN2
SCHEMBL3183887 0.77 MEN1 (0.36) MAPTMEN1KMT2AGAACYP2D6
SCHEMBL2782619 0.76 CTH (0.35) MAPTMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL2139570 0.75 CA12 (0.37) MAPTMEN1KMT2AGAAALDH1A1

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 108 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-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 — — WO disclosed
EP-3596089-B1 ANTIBACTERIAL COMPOUNDS UNIV NOTTINGHAM (GB) 2023-12-06 — — EP 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
EP-0880357-A4 SYNTHESIS OF CONFORMATIONALLY RESTRICTED AMINO ACIDS, PEPTIDES AND PEPTIDOMIMETICS BY CATALYTIC RING CLOSING METATHESIS CALIFORNIA INST OF TECHN (US) 1999-05-12 — — EP disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 — — US disclosed
EP-0880357-A1 SYNTHESIS OF CONFORMATIONALLY RESTRICTED AMINO ACIDS, PEPTIDES AND PEPTIDOMIMETICS BY CATALYTIC RING CLOSING METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-02 — — EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 — — WO disclosed
US-5811515-A SYNTHESIZING PEPTIDE PRECURSOR CONTAINING TWO DOUBLE BONDS, CONTACTING WITH RING CLOSING METATHESIS RUTHENIUM CARBENE COMPLEX CATALYST TO YIELD CONFORMATIONALLY RESTRICTED PEPTIDE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-09-22 — — US disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 — — WO disclosed
US-5756549-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1998-05-26 — — US disclosed
WO-1997026002-A1 SYNTHESIS OF CONFORMATIONALLY RESTRICTED AMINO ACIDS, PEPTIDES AND PEPTIDOMIMETICS BY CATALYTIC RING CLOSING METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-07-24 — — WO disclosed
US-5488066-A Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1996-01-30 — — US disclosed
US-5416119-A Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-05-16 — — US 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-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885MEN1 376/4885KMT2A 1111/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 MAPT 326/4885MEN1 376/4885KMT2A 1111/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 MAPT 326/4885MEN1 376/4885KMT2A 1111/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885MEN1 376/4885KMT2A 1111/4885

“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.