SCHEMBL25048670

SCHEMBL25048670

CCOC(=O)c1ccc(C(F)(F)F)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.66
CA1 P00915 4/20 0.66
CA2 P00918 4/20 0.66
CA7 P43166 4/20 0.66
CA9 Q16790 4/20 0.66
CA14 Q9ULX7 4/20 0.66
HSD17B2 P37059 1/20 0.59
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HCRTR1 O43613 1/20 0.48
NOTUM Q6P988 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL23484283 0.88 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL1993657 0.87 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27871579 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL25860219 0.85 HSD17B2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29219446 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL31439040 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1264358 0.83 LMNA (0.54) CA12CA1CA2CA7CA9
SCHEMBL23827048 0.83 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL665618 0.83 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL374633 0.83 CA12 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-02-16 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 (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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD CA12 4750/4885CA1 3302/4885CA2 2104/4885
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 CA12 4833/4885CA1 4045/4885CA2 3567/4885

“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.