SCHEMBL615697

SCHEMBL615697

C=CC[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(NC(=O)OC)cc2Br)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.46
SSTR3 P32745 1/20 0.42
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
F10 P00742 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
EGFR P00533 2/20 0.34
AAK1 Q2M2I8 8/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL29053532 1.00 F11 (0.46) F11SSTR3MAPTLMNAGAA
SCHEMBL29053515 0.85 SSTR3 (0.49) F11SSTR3MAPTAAK1HDAC3
SCHEMBL30194095 0.85 SSTR3 (0.49) F11SSTR3MAPTAAK1HDAC3
SCHEMBL18690079 0.82 SSTR3 (0.42) F11SSTR3MAPTLMNAGAA
SCHEMBL30193827 0.81 MAPK1 (0.40) F11MAPTLMNAGAAXBP1
SCHEMBL15770782 0.80 SSTR3 (0.42) F11SSTR3MAPTLMNAMAPK1
SCHEMBL15562432 0.80 SSTR3 (0.42) F11SSTR3MAPTLMNAMAPK1
SCHEMBL18797066 0.80 F11 (0.41) F11LMNAEGFRMEN1KMT2A
SCHEMBL23788904 0.78 SSTR3 (0.49) F11SSTR3MAPTAAK1HDAC3
SCHEMBL615698 0.76 EGFR (0.32) F11MAPTEGFRAAK1

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 50 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
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-3099686-B1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 EP disclosed
EP-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
EP-2739628-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 EP disclosed
EP-2739625-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 EP disclosed
WO-2013022814-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
WO-2013022818-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885SSTR3 3598/4885MAPT 326/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885SSTR3 3598/4885MAPT 326/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 F11 4/4885SSTR3 3578/4885MAPT 360/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 F11 3/4885SSTR3 3598/4885MAPT 326/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 F11 3/4885SSTR3 3598/4885MAPT 326/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885SSTR3 3598/4885MAPT 326/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885SSTR3 3598/4885MAPT 326/4885

“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.