SCHEMBL6841180

SCHEMBL6841180

C[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CTRB1 P17538 2/20 0.48
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
ELANE P08246 1/20 0.46
CTSB P07858 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL29401219 0.86 ALDH1A1 (0.54) ATMCTSKCTSLCTSSCTSB
SCHEMBL254638 0.85 ITGB3 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL24795018 0.85 ITGB3 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL4178755 0.85 ITGB3 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL29576042 0.83 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL27506310 0.83 CTSL (0.51) CTRB1CTSKCTSLCTSSCTSB
SCHEMBL6218674 0.83 CTRB1 (0.46) ATMCTRB1CTSKCTSLCTSS
SCHEMBL8359365 0.83 CTRB1 (0.46) ATMCTRB1CTSKCTSLCTSS
SCHEMBL12409587 0.83 CTSL (0.47) ATMCTRB1CTSKCTSLCTSS
SCHEMBL10684888 0.82 CTSK (0.49) CTSKCTSBALDH1A1ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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 (2 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ATM 4055/4885CTRB1 168/4885CTSK 76/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP ATM 4055/4885CTRB1 168/4885CTSK 76/4885

“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.