Sugi Predict

Sugi Predict / Compounds / SCHEMBL4633786

SCHEMBL4633786

SCHEMBL4633786

CC(C)Oc1ccc(C#Cc2ccc(C#N)c(Cl)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.42
▸ HDAC4 P56524 6/20 0.42
▸ HDAC1 Q13547 6/20 0.42
▸ HDAC7 Q8WUI4 6/20 0.42
▸ HDAC2 Q92769 6/20 0.42
▸ HDAC10 Q969S8 6/20 0.42
▸ HDAC11 Q96DB2 6/20 0.42
▸ HDAC8 Q9BY41 6/20 0.42
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC9 Q9UKV0 6/20 0.42
▸ HDAC5 Q9UQL6 6/20 0.42
▸ ITGB2 P05107 6/20 0.41
▸ ICAM1 P05362 6/20 0.41
▸ ITGAL P20701 6/20 0.41
▸ CTSC P53634 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL4633753 0.92 CTSC (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4633770 0.91 ITGB2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4633408 0.91 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14078740 0.91 ITGB2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4736574 0.91 CDK2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4634762 0.89 CDK2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4735383 0.89 ITGB2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4739275 0.88 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4736974 0.88 RORC (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4632692 0.88 ITGB2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 — — EP 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
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 — — WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 — — EP 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 HDAC3 1526/4885HDAC4 3361/4885HDAC1 1780/4885

“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.