SCHEMBL29344091

SCHEMBL29344091

OB(O)c1cc(O)ccc1SC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
ENPP2 Q13822 2/20 0.31
NR1I2 O75469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9694900 0.77 ESR2 (0.37) PDE2AALDH1A1LMNAALOX15
SCHEMBL28099025 0.76 TYR (0.37) PDE2ANR1I2ALDH1A1LMNACYP2C9
SCHEMBL29950853 0.75 ALDH1A1 (0.38) ENPP2ALDH1A1HTT
SCHEMBL19617371 0.73 ESR2 (0.33) PDE2AALOX15
SCHEMBL28229893 0.73 HSD17B10 (0.46) CYP2C9HSD17B10
SCHEMBL28229195 0.73 PDE2A (0.30) PDE2A
SCHEMBL26830240 0.73 PDE2A (0.34) PDE2ANR1I2ALDH1A1LMNACYP2C9
SCHEMBL29951465 0.71 KIF11 (0.44) ENPP2NR1I2ALDH1A1LMNACYP2C9
SCHEMBL29344094 0.69 CYP3A4 (0.33) ALOX15
SCHEMBL29469116 0.67 ADRA2A (0.39) ENPP2TYR

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
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS PDE2A 4045/4885ENPP2 3527/4885NR1I2 2949/4885

“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.