SCHEMBL3610136

SCHEMBL3610136

CC1(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
KYNU Q16719 1/20 0.49
TACR1 P25103 1/20 0.49
CYP3A4 P08684 4/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP2C9 P11712 2/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSS P25774 3/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
ECE1 P42892 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3822933 1.00 CTSK (0.49) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL3606161 1.00 CTSK (0.49) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL2399708 0.99 CTSK (0.50) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL2399710 0.99 CTSK (0.50) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL18762577 0.96 CTSK (0.50) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL18762504 0.96 CTSK (0.50) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL3824400 0.94 KYNU (0.56) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL3617397 0.94 KYNU (0.56) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL25240531 0.94 CTSK (0.52) CTSKKYNUTACR1CYP3A4TSHR
SCHEMBL25288547 0.94 CTSK (0.52) CTSKKYNUTACR1CYP3A4TSHR

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSK 4/4885KYNU 2096/4885TACR1 520/4885

“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.