SCHEMBL23622243

SCHEMBL23622243

C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cnn(C)c2)c1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.80
PGR P06401 2/20 0.69
TNF P01375 1/20 0.69

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
SCHEMBL23622244 0.93 NR3C1 (0.81) NR3C1PGRTNF
SCHEMBL23622238 0.91 NR3C1 (0.74) NR3C1PGRTNF
SCHEMBL23622125 0.91 NR3C1 (0.70) NR3C1PGRTNF
SCHEMBL26158280 0.90 NR3C1 (0.68) NR3C1PGRTNF
SCHEMBL26158573 0.88 NR3C1 (0.65) NR3C1PGRTNF
SCHEMBL3144658 0.87 NR3C1 (0.74) NR3C1PGRTNF
SCHEMBL23622240 0.86 NR3C1 (0.70) NR3C1PGRTNF
SCHEMBL23618939 0.86 NR3C1 (0.61) NR3C1PGRTNF
SCHEMBL23622152 0.86 NR3C1 (0.72) NR3C1PGRTNF
SCHEMBL23622241 0.85 NR3C1 (0.71) NR3C1PGRTNF

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-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
WO-2021136429-A1 BENZOPYRAZOLE COMPOUND 南京明德新药研发有限公司 2021-07-08 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-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 NR3C1 3472/4885PGR 1972/4885TNF 4841/4885

“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.