SCHEMBL4875995

SCHEMBL4875995

COC(=O)C1=C(O)CCC(C#N)(c2cccc(OC)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
ADAM17 P78536 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5470341 0.86 ADAM17 (0.45) KMT2AMEN1ADAM17LMNAHPGD
SCHEMBL3519738 0.84 OPRM1 (0.46) ALDH1A1CASP3SENP7MAPTCYP1A2
SCHEMBL5473334 0.80 ADAM17 (0.44) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL16463358 0.77 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL16464410 0.77 VNN1 (0.33) ALDH1A1MAPTKDM4ELMNA
SCHEMBL2288239 0.76 KMT2A (0.67) KMT2AALDH1A1HCAR2
SCHEMBL1007128 0.75 KMT2A (0.78) KMT2AALDH1A1CES2CES1
SCHEMBL11076769 0.75 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1ADAM17
SCHEMBL16462397 0.75 P2RX7 (0.34) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL11866905 0.74 KMT2A (0.57) KMT2AALDH1A1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885MEN1 3740/4885TP53 4043/4885

“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.