SCHEMBL22112689

SCHEMBL22112689

COC(=O)[C@H](O)Cc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
KMT2A Q03164 3/20 0.46
AKR1B1 P15121 1/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
EGFR P00533 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HSPA5 P11021 1/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MAPT P10636 1/20 0.40
MIF P14174 1/20 0.40
POLB P06746 1/20 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
SCHEMBL6224100 1.00 NLRP3 (0.46) NLRP3KMT2AAKR1B1TSHRLMNA
SCHEMBL23207368 0.85 CYP1A2 (0.50) KMT2AAKR1B1TSHRMEN1HIF1A
SCHEMBL28915742 0.85 CYP1A2 (0.50) KMT2AAKR1B1TSHRMEN1HIF1A
SCHEMBL28019768 0.83 KMT2A (0.46) KMT2ATSHRLMNAMEN1
SCHEMBL22113081 0.81 NLRP3 (0.45) NLRP3KMT2AAKR1B1TSHRLMNA
SCHEMBL2586006 0.81 NLRP3 (0.45) NLRP3KMT2AAKR1B1TSHRLMNA
SCHEMBL2502292 0.81 NLRP3 (0.45) NLRP3KMT2AAKR1B1TSHRLMNA
SCHEMBL29478100 0.81 NLRP3 (0.45) NLRP3KMT2AAKR1B1TSHRLMNA
SCHEMBL27420544 0.81 NLRP3 (0.45) NLRP3KMT2AAKR1B1TSHRLMNA
SCHEMBL16812596 0.81 KMT2A (0.44) KMT2ACYP2D6MIFIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 US disclosed
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 US disclosed
WO-2020123994-A1 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-06-18 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 (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-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CYP2C19, CYP2D6, CYP2C8 NLRP3 3520/4885KMT2A 4413/4885AKR1B1 1076/4885

“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.