SCHEMBL21148935

SCHEMBL21148935

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=S)NC(=O)OCc1ccccc1)c1ccc2c(ccc(=O)n2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ OPRK1 P41145 4/20 0.31
▸ CTSS P25774 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ BRD1 O95696 2/20 0.31
▸ BRPF1 P55201 2/20 0.31
▸ BRD9 Q9H8M2 2/20 0.31
▸ BRPF3 Q9ULD4 1/20 0.31
▸ KAT2B Q92831 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 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
SCHEMBL20907575 1.00 MMP1 (0.34) MMP1ADAM17ALOX5OPRK1CTSS
SCHEMBL20908216 0.92 MMP1 (0.36) MMP1ADAM17ALOX5CTSSSMN1; SMN2
SCHEMBL29640227 0.92 MMP1 (0.36) MMP1ADAM17ALOX5CTSSSMN1; SMN2
SCHEMBL21112302 0.82 MEN1 (0.39) MMP1ADAM17ALOX5CTSSSMN1; SMN2
SCHEMBL21112298 0.82 MEN1 (0.39) MMP1ADAM17ALOX5CTSSSMN1; SMN2
SCHEMBL29640353 0.81 OPRK1 (0.39) OPRK1CTSSSMN1; SMN2MEN1KMT2A
SCHEMBL28407518 0.81 AAK1 (0.40) OPRK1CTSSSMN1; SMN2MEN1KMT2A
SCHEMBL22579540 0.81 AAK1 (0.40) OPRK1CTSSSMN1; SMN2MEN1KMT2A
SCHEMBL23114827 0.81 CTSS (0.33) OPRK1CTSSSMN1; SMN2MEN1KMT2A
SCHEMBL20908278 0.81 CTSS (0.33) OPRK1CTSSSMN1; SMN2MEN1KMT2A

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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MMP1 87/4885ADAM17 12/4885ALOX5 3256/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MMP1 135/4885ADAM17 7/4885ALOX5 3149/4885

“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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