SCHEMBL25064825

SCHEMBL25064825

COCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCC(C)C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 7/20 0.46
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 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
SCHEMBL25064680 0.91 HDAC2 (0.48) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25680269 0.91 GAA (0.44) HDAC2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL25064729 0.84 NPY5R (0.44) HDAC2
SCHEMBL25064832 0.82 NPY5R (0.43) HDAC2
SCHEMBL25064834 0.82 ENPP2 (0.42) HDAC2GAAHTT
SCHEMBL24492734 0.80 HDAC2 (0.39) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL18494908 0.80 SMN1; SMN2 (0.46) MEN1CYP2C9CYP2C19KMT2ANPC1
SCHEMBL28656111 0.80 HDAC8 (0.40) HDAC2HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL22508050 0.80 HDAC8 (0.40) HDAC2HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL28656110 0.80 HDAC8 (0.40) HDAC2HDAC8NPC1RAB9ASMN1; SMN2

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-20230055741-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2023-02-23 — — 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-20230055741-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS HDAC2 3242/4885HDAC3 4046/4885HDAC4 2927/4885

“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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