SCHEMBL6019708

SCHEMBL6019708

CCC(CC)(Cc1csc2ccccc12)C(=O)NCCC#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2D6 P10635 1/20 0.41
MTNR1A P48039 1/20 0.40
IDO1 P14902 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP2A6 P11509 2/20 0.40
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 2/20 0.37
JUN P05412 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 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
SCHEMBL6021023 0.86 CTSL (0.48) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6021036 0.75 CTSL (0.55) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6019704 0.75 ALDH1A1 (0.42) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6019645 0.73 DPP4 (0.51) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6020070 0.72 CTSS (0.62) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6020958 0.70 CTSS (0.59) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6019303 0.70 CTSS (0.57) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL6021171 0.70 CTSS (0.65) CTSLCTSSCTSKMAPT
SCHEMBL6019601 0.70 CTSS (0.68) CTSLCTSSCTSKSMN1; SMN2
SCHEMBL6021383 0.70 CTSS (0.84) CTSLCTSSCTSK

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-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.