SCHEMBL23622136

SCHEMBL23622136

C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2[nH]ncc2c1)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.47
TNF P01375 1/20 0.47
PGR P06401 2/20 0.44
ROCK2 O75116 1/20 0.42

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
SCHEMBL23622256 0.91 NR3C1 (0.48) NR3C1PGRROCK2
SCHEMBL23622250 0.91 NR3C1 (0.57) NR3C1TNFPGR
SCHEMBL23622154 0.89 NR3C1 (0.55) NR3C1TNFPGR
SCHEMBL23622255 0.89 NR3C1 (0.43) NR3C1TNFROCK2
SCHEMBL23622254 0.87 NPC1 (0.42) NR3C1ROCK2
SCHEMBL23619039 0.82 NR3C1 (0.42) NR3C1TNFPGR
SCHEMBL17644001 0.80 NR3C1 (0.61) NR3C1TNFPGR
SCHEMBL19459958 0.80 NR3C1 (0.61) NR3C1TNFPGR
SCHEMBL23622397 0.79 NR3C1 (0.44) NR3C1TNFPGRROCK2
SCHEMBL21182244 0.78 NR3C1 (0.43) NR3C1TNFPGRROCK2

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 3472/4885TNF 4841/4885PGR 1972/4885

“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.