SCHEMBL15460372

SCHEMBL15460372

CCOP(C)(=O)CC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.40
PPARD Q03181 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 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
SCHEMBL11913313 0.79 TDP1 (0.44) TP53TDP1TSHRPPARDCA12
SCHEMBL12958889 0.79 TSHR (0.42) TP53TDP1TSHRPPARDCA12
SCHEMBL410825 0.79 TSHR (0.50) TP53TDP1TSHRPPARDCA12
SCHEMBL10389565 0.77 TSHR (0.40) TP53TDP1TSHRPPARDCA12
SCHEMBL12405369 0.76 POLB (0.40) TP53TDP1TSHRPPARDCA12
SCHEMBL4402992 0.76 MGAM (0.46) TP53TDP1TSHRPPARDCYP3A4
SCHEMBL18052649 0.76 TSHR (0.39) TP53TDP1TSHRPPARDCA12
SCHEMBL18309148 0.75
SCHEMBL575282 0.75
SCHEMBL10490232 0.74 TSHR (0.42) TP53TDP1TSHRPPARDCA12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222889-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-09 US disclosed
US-20180222907-A1 MACROCYCLIC FACTOR XIA INHIBITORS BEARING HETEROCYCLIC GROUPS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 US disclosed
US-20170342071-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES BRISTOL MYERS SQUIBB CO (US) 2017-11-30 US disclosed
US-20170057961-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-02 US disclosed
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9376444-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-28 US disclosed
US-9376444-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-28 US disclosed
US-20150166550-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-20150166550-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 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 (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-20170057961-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES TFPI, TFPI2, F2 TP53 4431/4885TDP1 3093/4885TSHR 2906/4885
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TP53 4053/4885TDP1 682/4885TSHR 3407/4885
US-20170342071-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES TFPI, TFPI2, F2 TP53 4431/4885TDP1 3093/4885TSHR 2906/4885
US-20180222907-A1 MACROCYCLIC FACTOR XIA INHIBITORS BEARING HETEROCYCLIC GROUPS TFPI, TFPI2, F11 TP53 4677/4885TDP1 2747/4885TSHR 2634/4885
US-20150166550-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TP53 4053/4885TDP1 682/4885TSHR 3407/4885
US-20180222889-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS TFPI, TFPI2, F2 TP53 4644/4885TDP1 1817/4885TSHR 3245/4885
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TP53 4020/4885TDP1 767/4885TSHR 3303/4885

“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.