SCHEMBL20712024

SCHEMBL20712024

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CTSK P43235 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 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 0.95 KLK7 (0.40) KLK7KLK5MEN1KMT2ARECQL
SCHEMBL20711953 0.94 KLK7 (0.42) KLK7KLK5MEN1KMT2AMAPT
SCHEMBL20712077 0.90 KLK7 (0.37) CACNA1BTACR1KLK7KLK5MEN1
SCHEMBL20712109 0.89 TACR1 (0.36) CACNA1BTACR1KLK7MAPTKDM4E
SCHEMBL20711945 0.85 MEN1 (0.35) CACNA1BMEN1KMT2APOLBKDM4E
SCHEMBL20711942 0.85 KLK7 (0.41) CACNA1BTACR1KLK7KLK5CTSK
SCHEMBL23541501 0.82 KCNA5 (0.41) RECQLMAPTNPSR1POLBMAPK1
SCHEMBL20711949 0.81 JAK3 (0.40) CACNA1BTACR1KLK7KLK5MEN1
SCHEMBL20712022 0.79 CASP3 (0.32) TACR1KMT2AL3MBTL1
SCHEMBL29867943 0.78 CASP3 (0.32) TACR1L3MBTL1

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 CACNA1B 3251/4885TACR1 2924/4885KLK7 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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