SCHEMBL16972136

SCHEMBL16972136

C=CCC(NC(=O)O)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP26A1 O43174 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TGM2 P21980 1/20 0.40
CTSA P10619 1/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL18425130 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHTTNPSR1CYP2C19
SCHEMBL2899494 0.83 CYP2C19 (0.56) ALDH1A1MAPTHTTCYP2C19KDM4E
SCHEMBL18765605 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHTTNPSR1CYP26A1
SCHEMBL16396348 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHTTNPSR1CYP26A1
SCHEMBL30087530 0.81 AAK1 (0.48) ALDH1A1HTTL3MBTL1
SCHEMBL18456180 0.81 AAK1 (0.48) ALDH1A1HTTL3MBTL1
SCHEMBL30271848 0.81 CTSS (0.46) MAPTSMN1; SMN2
SCHEMBL16971421 0.81 CTSS (0.46) MAPTSMN1; SMN2
SCHEMBL614302 0.81 CTSS (0.46) MAPTSMN1; SMN2
SCHEMBL14142694 0.81 ALDH1A1 (0.59) ALDH1A1MAPTHTTNPSR1KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3868753-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
EP-3988549-A1 MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2022-04-27 EP disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
EP-3328852-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2021-04-28 EP disclosed
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 US disclosed
EP-3328851-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 US disclosed
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties BRISTOL-MYERS SQUIBB (US) 2019-05-14 US disclosed
US-20190010154-A1 FACTOR XIA MACROCYCLE INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2019-01-10 US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
EP-3099687-B1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-04 EP disclosed
EP-3328852-A1 FACTOR XIA NEW MACROCYCLE BEARING A NON-AROMATIC P2' GROUP Bristol-Myers Squibb Company (US) 2018-06-06 EP disclosed
EP-3328851-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES Bristol-Myers Squibb Company (US) 2018-06-06 EP disclosed
WO-2017019821-A1 FACTOR XIA NEW MACROCYCLE BEARING A NON-AROMATIC P2' GROUP BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-02 WO disclosed
WO-2017019819-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-02 WO disclosed
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 US disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 US disclosed
EP-3099687-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 EP disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 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 (9 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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 ALDH1A1 2419/4885MAPT 693/4885HTT 3079/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 ALDH1A1 2800/4885MAPT 675/4885HTT 3001/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 ALDH1A1 2800/4885MAPT 675/4885HTT 3001/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 2419/4885MAPT 693/4885HTT 3079/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI ALDH1A1 4748/4885MAPT 2248/4885HTT 2442/4885
US-20190010154-A1 FACTOR XIA MACROCYCLE INHIBITORS BEARING A NON-AROMATIC P2' GROUP TFPI, TFPI2, F2 ALDH1A1 4659/4885MAPT 1062/4885HTT 3097/4885
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group TFPI, TFPI2, F2 ALDH1A1 4659/4885MAPT 1062/4885HTT 3097/4885
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties TFPI, TFPI2, F11 ALDH1A1 4544/4885MAPT 2494/4885HTT 3896/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 ALDH1A1 2800/4885MAPT 675/4885HTT 3001/4885

“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.