Sugi Predict

Sugi Predict / Compounds / SCHEMBL4737009

SCHEMBL4737009

SCHEMBL4737009

CC(C)Oc1ccc(C#Cc2cccc(S(N)(=O)=O)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.44
▸ MMP2 P08253 3/20 0.44
▸ CA2 P00918 3/20 0.42
▸ KCNA5 P22460 1/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL13945806 0.90 MMP9 (0.47) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL14079256 0.90 ITGB2 (0.44) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL4633723 0.90 MAPT (0.44) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL4737378 0.89 MMP9 (0.47) MMP9MMP2KCNA5HDAC3HDAC4
SCHEMBL4633425 0.89 HPGDS (0.42) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL4734619 0.88 TACR1 (0.42) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL4634762 0.88 CDK2 (0.43) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL14161951 0.88 CA2 (0.46) MMP9MMP2CA2KCNA5KMT2A
SCHEMBL14161994 0.88 ITGB2 (0.45) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL4633700 0.88 ALOX5 (0.44) MMP9MMP2HDAC3HDAC4HDAC1

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 MMP9 3664/4885MMP2 4314/4885CA2 4262/4885

“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.