SCHEMBL7130940

SCHEMBL7130940

COc1ccc(CC(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)CO)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.65
F2 P00734 1/20 0.62
CTSL P07711 5/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
CTSB P07858 2/20 0.58
TACR1 P25103 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CAPN1 P07384 1/20 0.54

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
SCHEMBL7132840 0.93 F2 (0.73) HDAC8F2CTSLCTSSCTSK
SCHEMBL7134194 0.91 CTSL (0.58) HDAC8F2CTSLCTSSCTSK
SCHEMBL14684392 0.91 HDAC8 (0.64) HDAC8F2CTSLCTSSCTSK
SCHEMBL7317573 0.91 HDAC8 (0.64) HDAC8F2CTSLCTSSCTSK
SCHEMBL4321567 0.91 TACR1 (0.67) CTSLCTSSCTSKCTSBTACR1
SCHEMBL7038484 0.88 HDAC8 (0.78) HDAC8F2CTSLCTSSCTSK
SCHEMBL10706786 0.87 HDAC8 (0.68) HDAC8F2CTSLCTSSCTSK
SCHEMBL7326086 0.87 HDAC8 (0.60) HDAC8F2CTSLCTSSCTSK
SCHEMBL7269586 0.86 HDAC8 (0.59) HDAC8F2CTSLCTSSCTSK
SCHEMBL4154649 0.86 HDAC8 (0.80) HDAC8F2CTSLCTSSCTSK

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-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL HDAC8 825/4885F2 731/4885CTSL 14/4885

“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.