Sugi Predict

Sugi Predict / Compounds / SCHEMBL4737003

SCHEMBL4737003

SCHEMBL4737003

COc1ccc(C#Cc2ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC3 O15379 4/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC2 Q92769 4/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ ITGB2 P05107 1/20 0.44

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
SCHEMBL4634243 0.93 MMP2 (0.51) KMT2AMEN1MAPTHDAC3HDAC1
SCHEMBL13945806 0.93 MMP9 (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4633717 0.93 HDAC3 (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4632690 0.93 HDAC3 (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4634219 0.93 HDAC3 (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4632691 0.92 ITGB2 (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4634227 0.92 TACR1 (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4634196 0.92 TACR1 (0.48) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4633720 0.91 ITGB2 (0.49) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4633412 0.91 GPR84 (0.45) KMT2AMEN1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US claimed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 — — WO claimed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 — — 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 KMT2A 715/4885MEN1 188/4885MAPT 4236/4885

“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.