SCHEMBL25367282

SCHEMBL25367282

COc1cc(F)c(C=O)c(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.41
PRKDC P78527 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
ALOX5 P09917 2/20 0.36
STAT3 P40763 2/20 0.36
NFE2L2 Q16236 2/20 0.36
PTGES O14684 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL23200869 0.86 ERN1 (0.50) ERN1ALOX5STAT3NFE2L2PTGES
SCHEMBL23175190 0.84 KRAS (0.38) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL29493801 0.82 TUBB1 (0.34) ERN1ALOX5STAT3NFE2L2PTGES
SCHEMBL25366870 0.82 TUBB1 (0.34) ERN1ALOX5STAT3NFE2L2PTGES
SCHEMBL18131771 0.78 ALDH1A1 (0.52) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL27281163 0.77 TUBB1 (0.40) ALDH1A1GAATUBB1
Hydrochloric Acid SCHEMBL28412796 0.77 ALDH1A1 (0.50) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL1478624 0.76 ERN1 (0.50) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL16103815 0.76 ERN1 (0.40) ERN1PRKDCALDH1A1TSHRKDM4E
SCHEMBL2253680 0.76 ERN1 (0.42) ERN1ALDH1A1TSHRKDM4EGAA

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
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
CN-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed
EP-4221701-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072491-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 ERN1 1599/4885PRKDC 637/4885ALDH1A1 247/4885

“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.