SCHEMBL25933779

SCHEMBL25933779

COC(=O)c1ccc(C(O)C2CC(F)(F)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 3/20 0.40
DPP4 P27487 2/20 0.39
OPRD1 P41143 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL24214197 0.87 MAPT (0.56) MAPTKDM4ECA1CA2CA12
SCHEMBL1765556 0.83 MAPT (0.50) MAPTKDM4ECA1CA2CA12
SCHEMBL25933778 0.81 TSHR (0.40) CA1CA2CA12CA9CA14
SCHEMBL11962616 0.80 DHODH (0.57) MAPTKDM4ECA1CA2CA12
SCHEMBL11962618 0.80 DHODH (0.54) MAPTKDM4ECA1CA2CA12
SCHEMBL1765176 0.79 DHODH (0.60) MAPTKDM4ECA1CA2CA12
SCHEMBL31018203 0.76 MAPT (0.38) MAPTTDP1NPC1RAB9AALDH1A1
SCHEMBL31018259 0.76 MAPT (0.38) MAPTTDP1NPC1RAB9AALDH1A1
SCHEMBL31018208 0.76 MAPT (0.38) MAPTTDP1NPC1RAB9AALDH1A1
SCHEMBL31489916 0.74 HTR2A (0.45) ALDH1A1

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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAPT 3027/4885KDM4E 3761/4885CA1 4409/4885

“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.