SCHEMBL4103998

SCHEMBL4103998

CCc1c([C@@H](C)N(C)[S+]([O-])C(C)(C)C)oc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.43
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY1R P25929 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL4103999 1.00 ABCB1 (0.43) ABCB1PTPN1MEN1KMT2ANPY1R
SCHEMBL4094450 0.83 HCRTR1 (0.32) KMT2ASMN1; SMN2
SCHEMBL4094454 0.83 HCRTR1 (0.32) KMT2ASMN1; SMN2
SCHEMBL14493699 0.78 ABCB1 (0.45) ABCB1PTPN1MEN1KMT2ANPY1R
SCHEMBL13800027 0.76 ABCB1 (0.46) ABCB1NPY1RSMN1; SMN2MMP2MMP13
SCHEMBL13320401 0.73 ABCB1 (0.56) ABCB1PTPN1SMN1; SMN2CYP2C19
SCHEMBL4095188 0.70 ABCB1 (0.54) ABCB1PTPN1
SCHEMBL4102929 0.68 ABCB1 (0.55) ABCB1PTPN1MEN1KMT2ACYP2C19
SCHEMBL2840420 0.68 ABCB1 (0.55) ABCB1PTPN1MEN1KMT2ACYP2C19
SCHEMBL14493816 0.68 ABCB1 (0.48) ABCB1PTPN1NPY1RSMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI ABCB1 972/4885PTPN1 3687/4885MEN1 3193/4885

“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.