SCHEMBL20712022

SCHEMBL20712022

CC(Cl)OC(=O)N(C)c1ncccc1COC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.32
▸ SENP8 Q96LD8 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP6 Q9GZR1 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL7736866 0.89 CASP3 (0.32) CASP3SENP8SENP7SENP6NPC1
SCHEMBL29867943 0.89 CASP3 (0.32) CASP3SENP8SENP7SENP6NPC1
SCHEMBL20711945 0.87 MEN1 (0.35) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL26024103 0.84 HTT (0.35) CASP3SENP8SENP7SENP6NPC1
SCHEMBL20711942 0.84 KLK7 (0.41) NPC1RAB9ASMN1; SMN2TACR1
SCHEMBL17485426 0.81 NPC1 (0.35) CASP3SENP8SENP7SENP6NPC1
SCHEMBL20712109 0.80 TACR1 (0.36) ALDH1A1TACR1
SCHEMBL23541501 0.80 KCNA5 (0.41) L3MBTL1
SCHEMBL14559779 0.79 TACR1 (0.32) TACR1
SCHEMBL21155600 0.79 KMT2A (0.36) SMN1; SMN2ALDH1A1L3MBTL1KMT2A

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 CASP3 1531/4885SENP8 1579/4885SENP7 1250/4885
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof SLCO1B3, CYP3A43, GSK3B CASP3 292/4885SENP8 2787/4885SENP7 2115/4885

“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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