SCHEMBL4737378

SCHEMBL4737378

CC(C)Oc1ccc(C#Cc2ccc(S(C)(=O)=O)cc2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.47
MMP2 P08253 5/20 0.47
KCNA5 P22460 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ECE1 P42892 1/20 0.39
ADAM17 P78536 2/20 0.39
NEK1 Q96PY6 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 0.92 MMP9 (0.47) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4634227 0.90 TACR1 (0.44) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4738341 0.90 TACR1 (0.46) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4736574 0.90 CDK2 (0.43) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4739587 0.90 ITGB2 (0.47) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4735383 0.90 ITGB2 (0.47) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL14161994 0.90 ITGB2 (0.45) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4738214 0.90 MAPT (0.47) MMP9MMP2MEN1KMT2AHDAC3
SCHEMBL4737009 0.89 MMP9 (0.44) MMP9MMP2KCNA5MEN1KMT2A
SCHEMBL4736749 0.89 TACR1 (0.46) MMP9MMP2MEN1KMT2AHDAC3

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 4 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

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 4314/4885KCNA5 1814/4885

“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.