SCHEMBL18330396

SCHEMBL18330396

Cc1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 2/20 0.47
HPGDS O60760 1/20 0.47
EGLN1 Q9GZT9 14/20 0.46
ALKBH1 Q13686 4/20 0.42

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
SCHEMBL21901788 0.89 LRRK2 (0.37) ALKBH2HPGDSEGLN1ALKBH1
SCHEMBL20444063 0.83 ALKBH1 (0.45) ALKBH2HPGDSEGLN1ALKBH1
SCHEMBL20176158 0.83 EGLN1 (0.47) ALKBH2HPGDSEGLN1ALKBH1
SCHEMBL14692557 0.81 EGLN1 (0.53) ALKBH2HPGDSEGLN1ALKBH1
SCHEMBL18330392 0.80 KCNH2 (0.35)
SCHEMBL25342571 0.78 EGLN1 (0.53) ALKBH2HPGDSEGLN1ALKBH1
SCHEMBL16983155 0.76 NOTUM (0.39)
SCHEMBL16982972 0.76 NOTUM (0.60)
SCHEMBL16983112 0.76 PTGS2 (0.34)
SCHEMBL31583502 0.75 EGLN1 (0.50) ALKBH2HPGDSEGLN1ALKBH1

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 7 patents. 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-3328851-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed
EP-3310777-B1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-09 EP disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US 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
WO-2016205482-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-22 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 (1 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-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 ALKBH2 4793/4885HPGDS 455/4885EGLN1 1156/4885

“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.