SCHEMBL23914627

SCHEMBL23914627

CCOC(=O)/C=C1\OC(=O)c2c(F)ccc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL9234683 0.76 ALDH1A1 (0.56) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL13775156 0.76 ALDH1A1 (0.56) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL5009486 0.76 ALDH1A1 (0.56) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL23966516 0.74 ALDH1A1 (0.41) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL9674953 0.69 ALDH1A1 (0.38) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL9674944 0.69 ALDH1A1 (0.38) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL23966494 0.69 ALDH1A1 (0.41) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL29959883 0.66 CTDSP1 (0.38) MAPK1KDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL30594125 0.63 MAPT (0.49) MAPK1HSD17B10KDM4ECASP1KMT2A
SCHEMBL9380087 0.63 SMN1; SMN2 (0.43) HSD17B10KDM4EKMT2ASMN1; SMN2NPC1

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
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

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 MAPK1 1776/4885HSD17B10 2447/4885KDM4E 3835/4885

“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.