SCHEMBL19967086

SCHEMBL19967086

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(O)CNC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.50
▸ HTRA2 O43464 8/20 0.49
▸ HTRA1 Q92743 8/20 0.49
▸ ALB P02768 2/20 0.48
▸ WDR5 P61964 1/20 0.45
▸ SLC5A2 P31639 2/20 0.43
▸ BTK Q06187 2/20 0.40

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
SCHEMBL20047392 0.94 FOLH1 (0.51) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL14932614 0.93 HTRA2 (0.52) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL14932607 0.87 HTRA2 (0.54) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL20235786 0.81 HTRA2 (0.64) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL20235710 0.80 HTRA2 (0.49) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL14932621 0.80 HTRA2 (0.65) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL16234096 0.80 HTRA2 (0.65) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL14932598 0.78 HTRA2 (0.62) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL13833496 0.77 HTRA2 (0.37) FOLH1HTRA2HTRA1ALBWDR5
SCHEMBL14932664 0.77 HTRA2 (0.58) FOLH1HTRA2HTRA1ALBWDR5

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-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 — — US disclosed
US-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-03-15 — — 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-20180072671-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 FOLH1 3632/4885HTRA2 3512/4885HTRA1 2051/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 FOLH1 3741/4885HTRA2 3610/4885HTRA1 2119/4885

“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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