SCHEMBL4666080

SCHEMBL4666080

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
TACR1 P25103 2/20 0.59
SSTR3 P32745 1/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 1/20 0.58
ACE P12821 1/20 0.58
CCKBR P32239 5/20 0.56

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
SCHEMBL5467203 1.00 CTSL (0.64) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL4666077 1.00 CTSL (0.64) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL14265326 0.90 CTSL (0.62) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL23127370 0.89 ACE (0.66) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL28555823 0.89 ACE (0.66) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL29401065 0.89 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL6409052 0.89 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL29398124 0.89 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL3560147 0.89 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL6833548 0.89 CTSL (0.63) CTSLCTSSCTSKHDAC3HDAC4

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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR CTSL 3200/4885CTSS 3539/4885CTSK 3363/4885

“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.