SCHEMBL20711941

SCHEMBL20711941

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ TDP1 Q9NUW8 6/20 0.39
▸ ATM Q13315 2/20 0.39
▸ NPSR1 Q6W5P4 8/20 0.39
▸ MAPT P10636 6/20 0.39
▸ POLB P06746 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ P2RY2 P41231 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL20711953 0.98 KLK7 (0.42) KLK7KLK5KMT2AMEN1TDP1
SCHEMBL20712024 0.95 CACNA1B (0.37) KLK7KLK5KMT2AMEN1TDP1
SCHEMBL20712077 0.94 KLK7 (0.37) KLK7KLK5KMT2AMEN1TDP1
SCHEMBL20712109 0.88 TACR1 (0.36) KLK7MAPTKDM4EALDH1A1
SCHEMBL20711949 0.87 JAK3 (0.40) KLK7KLK5KMT2AMEN1TDP1
SCHEMBL20711945 0.84 MEN1 (0.35) KMT2AMEN1POLBKDM4E
SCHEMBL20711942 0.83 KLK7 (0.41) KLK7KLK5P2RY2
SCHEMBL23541501 0.81 KCNA5 (0.41) ATMNPSR1MAPTPOLBKDM4E
SCHEMBL20712022 0.77 CASP3 (0.32) KMT2AALDH1A1
SCHEMBL29867943 0.77 CASP3 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2021-06-22 — — US disclosed
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 (2 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 2883/4885KMT2A 4748/4885
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof SLCO1B3, CYP3A43, GSK3B KLK7 2133/4885KLK5 1915/4885KMT2A 4875/4885

“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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