SCHEMBL2184166

SCHEMBL2184166

C[C@@H](N)C(=O)N[C@@H]([C]=O)Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.59
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ACACB O00763 1/20 0.47
CTRB1 P17538 3/20 0.45
SLC6A4 P31645 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSH P09668 1/20 0.41
CTSK P43235 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PMP22 Q01453 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CARM1 Q86X55 1/20 0.40

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
SCHEMBL6805537 1.00 CTSC (0.59) CTSCSLC6A2SLC6A3ACACBCTRB1
SCHEMBL5407939 0.85 CTSC (0.59) CTSCSLC6A2SLC6A3ACACBSLC6A4
SCHEMBL9143156 0.85 CTRB1 (0.61) CTSCCTRB1CYP3A4CYP1A2CYP2D6
SCHEMBL27602044 0.85 CTRB1 (0.61) CTSCCTRB1CYP3A4CYP1A2CYP2D6
SCHEMBL7316163 0.85 CTRB1 (0.61) CTSCCTRB1CYP3A4CYP1A2CYP2D6
SCHEMBL7316156 0.85 CTRB1 (0.61) CTSCCTRB1CYP3A4CYP1A2CYP2D6
SCHEMBL2269225 0.82 ACACB (0.58) CTSCSLC6A2SLC6A3ACACB
SCHEMBL3710225 0.81 CTRB1 (0.56) CTSCCTRB1CYP3A4CYP1A2CYP2D6
SCHEMBL2194578 0.79 CTSC (0.53) CTSCACACBCTRB1CTSK
SCHEMBL30416331 0.78 MME (0.55) SLC6A2SLC6A3CTRB1LMNAKMT2A

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-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 US disclosed
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-03-17 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-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MMP3, MMP10, MMP25 CTSC 209/4885SLC6A2 3616/4885SLC6A3 3666/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP CTSC 331/4885SLC6A2 1505/4885SLC6A3 1194/4885

“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.