SCHEMBL24469587

SCHEMBL24469587

COC(=O)c1c(C)cc(F)c(F)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ACHE P22303 1/20 0.46
HPGD P15428 3/20 0.44
SOS1 Q07889 1/20 0.40
POLB P06746 4/20 0.40
GLO1 Q04760 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CGAS Q8N884 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL29570763 0.88 CYP3A4 (0.47) CYP3A4ACHEHPGDSOS1POLB
SCHEMBL24469589 0.80 CYP3A4 (0.41) CYP3A4ACHEPOLBMAPTALDH1A1
SCHEMBL24469588 0.78 SOS1 (0.40) CYP3A4ACHEHPGDSOS1POLB
SCHEMBL1867302 0.77 CA12 (0.41) CYP3A4ACHEHPGDSOS1POLB
SCHEMBL22996828 0.77 CYP3A4 (0.47) CYP3A4ACHEHPGDSOS1POLB
SCHEMBL34472588 0.77 CYP3A4 (0.41) CYP3A4ACHEHPGDSOS1POLB
SCHEMBL522223 0.75 CA1 (0.52) CYP3A4ACHEHPGDSOS1POLB
SCHEMBL7595029 0.75 SOS1 (0.49) HPGDSOS1POLBMAPTALDH1A1
SCHEMBL25063826 0.75 CYP3A4 (0.44) CYP3A4ACHEHPGDPOLBGLO1
SCHEMBL26981440 0.75 CFTR (0.41) CYP3A4ACHEHPGDSOS1POLB

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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
EP-4251149-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-10-04 EP disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 CYP3A4 3242/4885ACHE 907/4885HPGD 629/4885

“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.