SCHEMBL23978182

SCHEMBL23978182

COc1cccc(-c2nc(C(=O)O)ccc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.51
PIK3CA P42336 2/20 0.51
CTSA P10619 1/20 0.50
KMT2A Q03164 1/20 0.48
PIN1 Q13526 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE4B Q07343 1/20 0.47
DHODH Q02127 6/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
JMJD7 P0C870 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45

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
SCHEMBL30250361 1.00 ALDH1A1 (0.54) ALDH1A1HPGDLMNAPIK3CACTSA
SCHEMBL1711956 0.81 CTSA (0.50) ALDH1A1HPGDCTSAKDM4EHSD17B10
SCHEMBL319073 0.79 KDM4E (0.52) ALDH1A1HPGDLMNAKMT2AKDM4E
SCHEMBL318527 0.79 PIM1 (0.44) ALDH1A1HPGDKDM4E
SCHEMBL14151460 0.77 ALDH1A1 (0.59) ALDH1A1HPGDCTSAKMT2APIN1
SCHEMBL1722822 0.76 KMO (0.54) CTSAKDM4EDHODH
SCHEMBL14151596 0.73 CNR2 (0.60) CTSAKDM4EPDE4B
SCHEMBL1722987 0.73 CTSA (0.58) ALDH1A1HPGDCTSAKDM4EDHODH
SCHEMBL28441178 0.73 ALDH1A1 (0.50) ALDH1A1HPGDCTSAPIN1KDM4E
SCHEMBL4775930 0.72 ALDH1A1 (0.57) ALDH1A1HPGDLMNAPIN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 ALDH1A1 3922/4885HPGD 2359/4885LMNA 1095/4885

“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.