SCHEMBL614084

SCHEMBL614084

C=CC[C@H](NC(=O)OC(C)(C)C)c1cc(-c2ccc(NC(=O)OC)cc2[N+](=O)[O-])c(=O)[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
F11 P03951 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
GNRHR P30968 1/20 0.32
MAPT P10636 3/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL15456088 0.94 ALDH1A1 (0.33) F11ALDH1A1GSTP1GSTM2MAPT
SCHEMBL15456090 0.94 ALDH1A1 (0.33) F11ALDH1A1GSTP1GSTM2MAPT
SCHEMBL15460364 0.89 GSK3B (0.38) GSK3BF11ALDH1A1MAPTGAA
SCHEMBL614293 0.87 F11 (0.36) F11ALDH1A1MAPTLMNAGAA
SCHEMBL30480743 0.87 F11 (0.36) F11ALDH1A1MAPTLMNAGAA
SCHEMBL16504478 0.85 GRK6 (0.34) GSTP1GSTM2MAPT
SCHEMBL16504477 0.85 GRK6 (0.34) GSTP1GSTM2MAPT
SCHEMBL15771751 0.81 ALDH1A1 (0.36) GSK3BALDH1A1GSTP1GSTM2GNRHR
SCHEMBL15594122 0.81 ALDH1A1 (0.36) GSK3BALDH1A1GSTP1GSTM2GNRHR
SCHEMBL15594120 0.81 F11 (0.36) GSK3BF11ALDH1A1GSTP1GSTM2

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 12 patents. 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-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
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885F11 3/4885ALDH1A1 4598/4885

“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.