SCHEMBL25337641

SCHEMBL25337641

Oc1cc(Br)cc(C(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
KIF11 P52732 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EPRS1 P07814 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
MCL1 Q07820 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL29490989 1.00 KDM1A (0.33) KDM1AKIF11NOTUMCYP3A4TSHR
SCHEMBL16595415 0.80 CYP3A4 (0.39) KDM1AKIF11NOTUMCYP3A4TSHR
SCHEMBL6803093 0.78 CYP3A4 (0.43) CYP3A4TSHRTDP1ALOX15ALOX12
SCHEMBL31616900 0.77 KDM1A (0.35) KDM1ANOTUMCYP3A4TSHRTDP1
SCHEMBL6600160 0.77 CYP11B1 (0.37) KDM1AKIF11NOTUMCYP11B1CYP11B2
SCHEMBL13550099 0.74 KDM1A (0.33) KDM1ANOTUMCYP11B1CYP11B2
SCHEMBL29025677 0.74 KDM1A (0.33) KDM1ANOTUMCYP11B1CYP11B2
SCHEMBL20600783 0.74 KIF11 (0.37) KDM1AKIF11NOTUMCYP3A4TSHR
SCHEMBL31128610 0.74 NOTUM (0.34) KDM1ANOTUM
SCHEMBL25111974 0.72 EPRS1 (0.46) KDM1ANOTUMEPRS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 WO disclosed
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
US-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-02-01 US disclosed
CN-116744918-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-09-12 CN disclosed
EP-4221702-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072517-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 (2 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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 KDM1A 3306/4885KIF11 4244/4885NOTUM 693/4885
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 KDM1A 3306/4885KIF11 4244/4885NOTUM 693/4885

“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.