SCHEMBL30544796

SCHEMBL30544796

Fc1c(Br)ccc(-c2c[nH]nn2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PAK4 O96013 1/20 0.30
CHEK2 O96017 1/20 0.30
LCK P06239 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
FLT1 P17948 1/20 0.30
FGFR3 P22607 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
MARK3 P27448 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL29896673 0.81 TRPV3 (0.32)
SCHEMBL29896626 0.79 AR (0.33) ALOX5APFEN1
SCHEMBL29899284 0.79 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL5612909 0.74
SCHEMBL5612891 0.72 PBRM1 (0.47) MAPK1
SCHEMBL29899235 0.70 KIF11 (0.36) ALOX5APFEN1
SCHEMBL17991849 0.70 AR (0.33)
SCHEMBL6167894 0.69
SCHEMBL31393744 0.69 ALPL (0.43)
SCHEMBL2820801 0.68 IDO1 (0.47)

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
US-12312362-B2 Spiro derivatives of Alpha-D-galactopyranosides IDORSIA PHARMACEUTICALS LTD (CH) 2025-05-27 US disclosed
US-12304902-B2 Hydroxyheterocycloalkane-carbamoyl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-05-20 US disclosed
US-12291520-B2 Galectin-3 inhibiting 2-hydroxycycloalkane-1-carbamoyl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-05-06 US disclosed
US-20240124427-A1 HYDROXYHETEROCYCLOALKANE-CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-04-18 US disclosed
US-20240109930-A1 TRIAZOLYL-METHYL SUBSTITUTED ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-04-04 US disclosed
US-20230348442-A1 GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-02 US disclosed
US-20230295182-A1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES IDORSIA PHARMACEUTICALS LTD (CH) 2023-09-21 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 (7 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-20230348442-A1 GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES LGALS1, LGALS2, LGALS3 ALOX5AP 3392/4885FEN1 3567/4885PLK4 3535/4885
US-12291520-B2 Galectin-3 inhibiting 2-hydroxycycloalkane-1-carbamoyl derivatives LGALS1, LGALS2, LGALS3 ALOX5AP 3392/4885FEN1 3567/4885PLK4 3535/4885
US-12304902-B2 Hydroxyheterocycloalkane-carbamoyl derivatives LGALS1, LGALS3, LGALS2 ALOX5AP 3266/4885FEN1 2303/4885PLK4 3909/4885
US-12312362-B2 Spiro derivatives of Alpha-D-galactopyranosides LGALS1, LGALS3, LGALS2 ALOX5AP 4333/4885FEN1 2641/4885PLK4 3282/4885
US-20230295182-A1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES LGALS1, LGALS3, LGALS2 ALOX5AP 4333/4885FEN1 2641/4885PLK4 3282/4885
US-20240124427-A1 HYDROXYHETEROCYCLOALKANE-CARBAMOYL DERIVATIVES LGALS1, LGALS3, LGALS2 ALOX5AP 3266/4885FEN1 2303/4885PLK4 3909/4885
US-20240109930-A1 TRIAZOLYL-METHYL SUBSTITUTED ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS3, LGALS1, LGALS2 ALOX5AP 4186/4885FEN1 3306/4885PLK4 3602/4885

“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.