SCHEMBL23909062

SCHEMBL23909062

COc1ccc2c(CC(=O)O)nn(CC(=O)N3CCOCC3)c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.52
USP2 O75604 1/20 0.47
S1PR2 O95136 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
PSMD14 O00487 1/20 0.45
KMT2A Q03164 1/20 0.45
FKBP1A P62942 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL23915640 0.96 AKR1B1 (0.52) AKR1B1USP2S1PR2ALDH1A1KDM4E
SCHEMBL23915403 0.87 S1PR2 (0.48) AKR1B1USP2S1PR2ALDH1A1KDM4E
SCHEMBL23908938 0.84 S1PR2 (0.46) AKR1B1S1PR2ALDH1A1SMN1; SMN2NPC1
SCHEMBL23914932 0.83 MAPT (0.58) AKR1B1S1PR2SMN1; SMN2POLBGAA
SCHEMBL23909112 0.82 S1PR2 (0.45) AKR1B1S1PR2ALDH1A1NPC1TP53
SCHEMBL23966862 0.80 AKR1B1 (0.47) AKR1B1S1PR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23914637 0.80 AKR1B1 (0.47) AKR1B1S1PR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23915510 0.78 S1PR2 (0.58) AKR1B1S1PR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23966504 0.75 NPC1 (0.47) S1PR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL28886686 0.74 KMT2A (0.42) AKR1B1S1PR2ALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 AKR1B1 124/4885USP2 4521/4885S1PR2 3/4885

“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.