SCHEMBL12984654

SCHEMBL12984654

CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ KDM2A Q9Y2K7 1/20 0.46
▸ FOLH1 Q04609 7/20 0.46
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ TPSAB1 Q15661 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ PSEN1 P49768 3/20 0.44
▸ PSEN2 P49810 3/20 0.44
▸ APH1B Q8WW43 3/20 0.44
▸ NCSTN Q92542 3/20 0.44
▸ APH1A Q96BI3 3/20 0.44
▸ PSENEN Q9NZ42 3/20 0.44
▸ PLG P00747 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 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
SCHEMBL10065572 0.90 PRSS1 (0.48) PKMOPRM1KDM4EEGLN1KDM2A
SCHEMBL17209386 0.81 FOLH1 (0.52) PKMFOLH1PRSS1PRSS2PRSS3
SCHEMBL12429627 0.81 FOLH1 (0.52) PKMFOLH1PRSS1PRSS2PRSS3
SCHEMBL24220346 0.78 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10066226 0.78 CAPN1 (0.58) PKMKDM4EEGLN1KDM2AFOLH1
SCHEMBL13719079 0.77 FOLH1 (0.67) PKMOPRM1FOLH1PRSS1PRSS2
SCHEMBL10066224 0.76 RAMP3 (0.51) PKMFOLH1PRSS1PRSS2PRSS3
SCHEMBL12985194 0.74 FOLH1 (0.63) PKMKDM4EEGLN1KDM2AFOLH1
SCHEMBL8115912 0.74 FOLH1 (0.61) PKMKDM4EEGLN1KDM2AFOLH1
SCHEMBL12984158 0.74 CAPN1 (0.56) PKMKDM4EEGLN1KDM2AFOLH1

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-20100316563-A1 Method For The Preparation Of New Oligoclonal Antibodies BRACCO IMAGING S.P.A. (IT) 2010-12-16 — — US disclosed
US-20100316563-A1 Method For The Preparation Of New Oligoclonal Antibodies BRACCO IMAGING S.P.A. (IT) 2010-12-16 — — 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-20100316563-A1 Method For The Preparation Of New Oligoclonal Antibodies APOB, APOL1, FCGR3B PKM 4555/4885OPRM1 3787/4885KDM4E 4155/4885

“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.

Send feedback