SCHEMBL20711949

SCHEMBL20711949

CC(Cl)OC(=O)N(C)c1ccccc1COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTSK P43235 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PAX8 Q06710 1/20 0.38

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
SCHEMBL20711941 0.87 KLK7 (0.40) KLK7KLK5MEN1KMT2ANPSR1
SCHEMBL20711953 0.84 KLK7 (0.42) KLK7KLK5MEN1KMT2ANPSR1
SCHEMBL20712077 0.81 KLK7 (0.37) JAK3BTKKLK7KLK5CACNA1B
SCHEMBL20712024 0.81 CACNA1B (0.37) KLK7KLK5CACNA1BTACR1MEN1
SCHEMBL20712109 0.74 TACR1 (0.36) KLK7CACNA1BTACR1MAPTKDM4E
SCHEMBL7549143 0.73 KLK7 (0.64) KLK7KLK5MEN1KMT2ANPSR1
SCHEMBL10908452 0.73 CTSK (0.46) JAK3BTKCACNA1BTACR1MAPT
SCHEMBL12890795 0.72 CTSK (0.60) KLK7KLK5MEN1KMT2AMAPT
SCHEMBL29400991 0.71 KEAP1 (0.51) KLK7KLK5MEN1KMT2AMAPT
SCHEMBL29401315 0.71 KEAP1 (0.51) KLK7KLK5MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038621-A1 POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2019-02-07 — — 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-20190038621-A1 POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP3A43, ERG28, SORD JAK3 1671/4885BTK 368/4885KLK7 2124/4885

“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.

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