SCHEMBL9742302

SCHEMBL9742302

CC(C)(C)OC(=O)NC(CC1CCCCCCC1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.70
CTSS P25774 3/20 0.70
AAK1 Q2M2I8 2/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
IDO1 P14902 1/20 0.46
CPB2 Q96IY4 2/20 0.45
CACNA1B Q00975 1/20 0.43
REN P00797 2/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL21427220 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9556128 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL16946 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL8283416 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9742291 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL482062 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL16945 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427213 1.00 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
Water SCHEMBL15646368 0.99 CTSK (0.73) CTSKCTSSAAK1HDAC4HDAC1
Water SCHEMBL266526 0.99 CTSK (0.73) CTSKCTSSAAK1HDAC4HDAC1

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-20210347762-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2021-11-11 US disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 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 (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-20210347762-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ADCYAP1R1, HTRA2 CTSK 983/4885CTSS 402/4885AAK1 1748/4885

“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.