SCHEMBL25860219

SCHEMBL25860219

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
NOTUM Q6P988 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6510102 0.88 RXRA (0.53) HSD17B2CA12CA1CA2CA7
SCHEMBL25864752 0.87 HSD17B2 (0.49) HSD17B2CA12CA1CA2CA7
SCHEMBL13763258 0.87 HSD17B2 (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL25048670 0.85 CA12 (0.66) HSD17B2CA12CA1CA2CA7
SCHEMBL1347587 0.85 TSHR (0.60) CA12CA1CA2CA7CA9
SCHEMBL312486 0.85 CREBBP (0.56) ALDH1A1HSD17B10HDAC1HDAC6CYP1A2
SCHEMBL1993657 0.84 CA12 (0.56) HSD17B2CA12CA1CA2CA7
SCHEMBL27871579 0.83 CA12 (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL29219446 0.82 CA12 (0.53) HSD17B2CA12CA1CA2CA7
SCHEMBL31439040 0.82 CA12 (0.53) HSD17B2CA12CA1CA2CA7

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-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 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 (3 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-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 HSD17B2 2597/4885CA12 4833/4885CA1 4045/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD HSD17B2 1940/4885CA12 4769/4885CA1 3409/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 HSD17B2 2597/4885CA12 4833/4885CA1 4045/4885

“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.