SCHEMBL615907

SCHEMBL615907

CCC(C)OC(=O)C(C(=O)O)C(=O)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 4/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CACNA1C Q13936 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL615906 0.80 SMN1; SMN2 (0.49) SMN1; SMN2TDP1MAPTPOLBMAPK1
SCHEMBL3883313 0.78 MEN1 (0.44) MAPTPKMHTTALDH1A1MEN1
SCHEMBL7342180 0.75 TP53 (0.43) SMN1; SMN2TDP1MAPTPOLBMAPK1
SCHEMBL4729891 0.73 GAA (0.50) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL11669455 0.72 TP53 (0.51) SMN1; SMN2TDP1MAPTPOLBMAPK1
SCHEMBL27724891 0.72 TP53 (0.46) SMN1; SMN2TDP1MAPTPOLBMAPK1
SCHEMBL7791316 0.72 SMN1; SMN2 (0.64) SMN1; SMN2TDP1MAPTPOLBTP53
SCHEMBL4279302 0.71 MAPT (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3340978 0.70 KDM4E (0.46) SMN1; SMN2TDP1MAPTPOLBMAPK1
SCHEMBL2672732 0.70 MEN1 (0.46) SMN1; SMN2MAPTTP53ALDH1A1MEN1

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 44 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
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-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
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed
EP-2739625-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 EP disclosed
EP-2739628-A1 NOVEL MACROCYCLES 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-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
EP-2534152-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 (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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SMN1; SMN2 3794/4885TDP1 2856/4885MAPT 496/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885TDP1 2393/4885MAPT 326/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885TDP1 2393/4885MAPT 326/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 SMN1; SMN2 3688/4885TDP1 2661/4885MAPT 360/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885TDP1 2393/4885MAPT 326/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885TDP1 2393/4885MAPT 326/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885TDP1 2393/4885MAPT 326/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885TDP1 2393/4885MAPT 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.