SCHEMBL20176158

SCHEMBL20176158

CC(C)c1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 15/20 0.47
HPGDS O60760 1/20 0.43
ALKBH2 Q6NS38 1/20 0.43
ALKBH1 Q13686 3/20 0.40

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
SCHEMBL18330396 0.83 ALKBH2 (0.47) EGLN1HPGDSALKBH2ALKBH1
SCHEMBL20176147 0.81 KCNH2 (0.33)
SCHEMBL18328179 0.80 TDO2 (0.41)
SCHEMBL20444063 0.80 ALKBH1 (0.45) EGLN1HPGDSALKBH2ALKBH1
SCHEMBL17661864 0.78 NOTUM (0.36)
SCHEMBL25342571 0.78 EGLN1 (0.53) EGLN1HPGDSALKBH2ALKBH1
SCHEMBL14692557 0.78 EGLN1 (0.53) EGLN1HPGDSALKBH2ALKBH1
SCHEMBL17661881 0.78 NOTUM (0.56)
SCHEMBL17661877 0.78 PTGS2 (0.32)
SCHEMBL17661875 0.77 NOTUM (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 US disclosed
US-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
US-20180162821-A1 FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS BRISTOL-MYERS SQUIBB COMPANY 2018-06-14 US disclosed
US-20180162821-A1 FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS BRISTOL-MYERS SQUIBB COMPANY 2018-06-14 US disclosed
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 US disclosed
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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 (5 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-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 EGLN1 1088/4885HPGDS 1581/4885ALKBH2 4703/4885
US-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES TFPI, TFPI2, F11 EGLN1 2576/4885HPGDS 1142/4885ALKBH2 4869/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 EGLN1 1156/4885HPGDS 455/4885ALKBH2 4793/4885
US-20180162821-A1 FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS F11, F12, TFPI EGLN1 3239/4885HPGDS 1595/4885ALKBH2 4885/4885
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group TFPI, TFPI2, F2 EGLN1 3119/4885HPGDS 1876/4885ALKBH2 4876/4885

“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.