SCHEMBL4140834

SCHEMBL4140834

C[S+]([O-])c1cccc(-n2c(C(F)(F)F)nc3sc4c(c3c2=O)CCCCC4)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 1/20 0.45
TGM2 P21980 1/20 0.44
LMNA P02545 4/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL4132182 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4154510 0.85 BRD4 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4147430 0.85 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4139711 0.85 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4141378 0.85 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4137069 0.84 LMNA (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4134647 0.84 MAPT (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4153731 0.84 MAPT (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4139738 0.83 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4146568 0.83 MAPT (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E

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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US claimed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL ALDH1A1 1202/4885MEN1 46/4885KMT2A 3189/4885

“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.