SCHEMBL12147692

SCHEMBL12147692

C[C@@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CO)NC(=O)CCC(=O)[C@H](CO)NC(=O)CCCC(=O)N[C@@H](CO)C(=O)CCC(=O)N[C@@H](CO)C(=O)NCCCC[C@H](C)C(N)=O)CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.49
▸ PRSS1 P07477 2/20 0.48
▸ PRSS2 P07478 2/20 0.48
▸ PRSS3 P35030 2/20 0.48
▸ TPSAB1 Q15661 2/20 0.48
▸ PLG P00747 1/20 0.48
▸ F2 P00734 1/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45
▸ CAPN1 P07384 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.43

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
SCHEMBL13475036 0.88 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12767763 0.87 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12147642 0.87 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12743524 0.87 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12972428 0.87 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12147669 0.86 MDK (0.50) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14422376 0.84 FOLH1 (0.52) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8106640 0.82 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8115912 0.81 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8121361 0.81 FOLH1 (0.53) FOLH1PRSS1PRSS2PRSS3TPSAB1

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-8632753-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO SUISSE SA (CH) 2014-01-21 — — US disclosed
US-20110286929-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2011-11-24 — — 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-20110286929-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS CD47, BCR, CD44 FOLH1 84/4885PRSS1 3021/4885PRSS2 4007/4885

“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.

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