SCHEMBL20712077

SCHEMBL20712077

CC(Cl)OC(=O)N(C)c1ncccc1COC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ P2RY2 P41231 1/20 0.36
▸ CTSK P43235 4/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ CACNA1B Q00975 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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 0.94 KLK7 (0.40) KLK7KLK5P2RY2MEN1KMT2A
SCHEMBL20711953 0.92 KLK7 (0.42) KLK7KLK5MEN1KMT2ANPSR1
SCHEMBL20712024 0.90 CACNA1B (0.37) KLK7KLK5CTSKMEN1KMT2A
SCHEMBL20712109 0.89 TACR1 (0.36) KLK7CTSKCACNA1BTACR1MAPT
SCHEMBL20711949 0.81 JAK3 (0.40) KLK7KLK5CTSKJAK3BTK
SCHEMBL20711942 0.81 KLK7 (0.41) KLK7KLK5P2RY2CTSKCACNA1B
SCHEMBL20711945 0.80 MEN1 (0.35) MEN1KMT2APOLBCACNA1BKDM4E
SCHEMBL23541501 0.79 KCNA5 (0.41) RECQLNPSR1POLBATMMAPT
SCHEMBL20712022 0.75 CASP3 (0.32) KMT2ATACR1
SCHEMBL29867943 0.75 CASP3 (0.32) TACR1

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 KLK7 2124/4885KLK5 2883/4885P2RY2 1568/4885

“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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