SCHEMBL13244993

SCHEMBL13244993

N#C[C@H](N[C@@H](CO)c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.40
RIPK1 Q13546 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
TSHR P16473 1/20 0.38
TRPV3 Q8NET8 1/20 0.35
MAN2A1 Q16706 1/20 0.35
MAN1B1 Q9UKM7 1/20 0.35
TRPA1 O75762 1/20 0.34
EPHX2 P34913 2/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL13244991 1.00 CTSL (0.40) CTSLRIPK1CTSSCTSKTSHR
SCHEMBL25469179 0.84 RIPK1 (0.46) RIPK1CTSSCTSKTSHRMAN2A1
SCHEMBL26606649 0.84 RIPK1 (0.46) RIPK1CTSSCTSKTSHRMAN2A1
SCHEMBL20325561 0.83 TRPV3 (0.43) TSHRTRPV3
SCHEMBL22308451 0.83 RIPK1 (0.44) CTSLRIPK1CTSSCTSKTSHR
SCHEMBL24361064 0.83 RIPK1 (0.44) CTSLRIPK1CTSSCTSKTSHR
SCHEMBL21501094 0.81 TRPV3 (0.35) CTSLRIPK1CTSSCTSKTSHR
SCHEMBL23460720 0.81 RIPK1 (0.49) RIPK1TSHR
SCHEMBL23460721 0.81 RIPK1 (0.49) RIPK1TSHR
SCHEMBL30457124 0.81 RIPK1 (0.49) RIPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CTSL 160/4885RIPK1 4729/4885CTSS 313/4885

“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.