Sugi Predict

Sugi Predict / Compounds / SCHEMBL15087402

SCHEMBL15087402

SCHEMBL15087402

CC(O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ CASP3 P42574 4/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ PIN1 Q13526 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
SCHEMBL29401003 1.00 KMT2A (0.51) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29367499 1.00 KMT2A (0.51) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL20371129 1.00 KMT2A (0.51) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29402087 0.91 KMT2A (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL15960134 0.91 KMT2A (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL6762639 0.91 KMT2A (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL15960136 0.90 KMT2A (0.51) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL377860 0.88 CASP3 (0.60) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL377861 0.88 CASP3 (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29400949 0.88 CASP3 (0.49) KMT2ACASP3EPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193471-A1 ß2GPI GENE EXPRESSION-SUPPRESSING NUCLEIC ACID CONJUGATE KYOWA HAKKO KIRIN CO., LTD. (JP) 2018-07-12 — — US disclosed
US-20160362445-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2016-12-15 — — US disclosed
US-9388212-B2 Solid phase peptide synthesis via side chain attachment CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2016-07-12 — — US disclosed
US-9388212-B2 Solid phase peptide synthesis via side chain attachment CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2016-07-12 — — US disclosed
US-20140235789-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2014-08-21 — — US disclosed
US-20140235789-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2014-08-21 — — US disclosed
WO-2013098802-A2 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2013-07-04 — — 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 (3 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-20180193471-A1 ß2GPI GENE EXPRESSION-SUPPRESSING NUCLEIC ACID CONJUGATE GALNT2, ST6GAL1, SLC17A5 KMT2A 2553/4885CASP3 4332/4885EPHX2 1598/4885
US-20160362445-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT HDGF, VIP, HDGFL3 KMT2A 2268/4885CASP3 4643/4885EPHX2 2403/4885
US-20140235789-A1 SOLID PHASE PEPTIDE SYNTHESIS VIA SIDE CHAIN ATTACHMENT HDGF, VIP, HDGFL3 KMT2A 2268/4885CASP3 4643/4885EPHX2 2403/4885

“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.