SCHEMBL21370486

SCHEMBL21370486

CCC[C@H](CCCNC(=O)[C@H](CCC)C(C)C)C(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
CNR1 P21554 1/20 0.40
USP2 O75604 3/20 0.40
TSHR P16473 2/20 0.39
PTGS1 P23219 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL18124642 0.87 USP2 (0.47) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18124653 0.87 USP2 (0.47) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18124688 0.87 USP2 (0.47) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18124664 0.81 CNR1 (0.49) CNR1USP2TSHRCA1CA2
SCHEMBL18124676 0.81 CNR1 (0.49) CNR1USP2TSHRCA1CA2
SCHEMBL18923193 0.80 USP2 (0.40) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18923220 0.80 USP2 (0.40) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL21370494 0.77 USP2 (0.44) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL24688329 0.76 CNR1 (0.50) CNR1USP2TSHRCA2MEN1
SCHEMBL2959461 0.76 CNR1 (0.50) CNR1USP2TSHRCA2MEN1

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-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 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-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 HDAC7 612/4885HDAC8 73/4885HDAC6 816/4885

“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.