SCHEMBL8029044

SCHEMBL8029044

CCC(C(=O)O)N1Cc2sc(-c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cc3)cc2S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
NR1H4 Q96RI1 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
FABP1 P07148 1/20 0.39
MCL1 Q07820 3/20 0.38
BCL2 P10415 2/20 0.38

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
SCHEMBL8029186 0.92 MAPT (0.42) NR1H4HDAC1MCHR1
SCHEMBL8027567 0.92 PTPN1 (0.43) KMT2AALDH1A1CYP1A2GAACYP2C9
SCHEMBL8027320 0.90 S1PR1 (0.38) NPY5RMCL1
SCHEMBL8027572 0.90 MMP1 (0.39) NPY5RALDH1A1HPGD
SCHEMBL13786789 0.89 KMT2A (0.45) NR1H4MEN1KMT2ACASP3SENP7
SCHEMBL13786688 0.85 RAB9A (0.40) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL13786700 0.84 NR1H4 (0.49) NR1H4MEN1KMT2AHPGD
SCHEMBL8027488 0.84 PPARG (0.41) MCL1
SCHEMBL8027619 0.83 MAOB (0.44) MEN1KMT2AHDAC1CYP1A2CYP2C9
SCHEMBL13786795 0.82 MAPT (0.39) MEN1KMT2AALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
WO-2009084501-A1 SULTAM DERIVATIVE ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-09 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-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 PGR 3888/4885NR1H4 2891/4885MEN1 2847/4885

“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.