SCHEMBL4711054

SCHEMBL4711054

COC(=O)CCCS(=O)(=O)c1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.51
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
KMT2A Q03164 4/20 0.44
MMP1 P03956 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL4711119 0.96 PSIP1 (0.50) PSIP1KDM4ESMN1; SMN2LOXL2KMT2A
SCHEMBL10280755 0.91 PSIP1 (0.54) PSIP1KDM4ESMN1; SMN2LOXL2KMT2A
Hydrochloric Acid SCHEMBL160719 0.90 PSIP1 (0.53) PSIP1KDM4ESMN1; SMN2LOXL2KMT2A
SCHEMBL11452472 0.83 ALDH1A1 (0.62) KMT2AALDH1A1GAACA1CA2
SCHEMBL20544598 0.82 HTT (0.65) SMN1; SMN2KMT2AMMP1HTTNPSR1
SCHEMBL6823634 0.81 HDAC1 (0.56) PSIP1KMT2AMMP1HTTNPSR1
SCHEMBL19183032 0.81 PSIP1 (0.58) PSIP1KDM4ESMN1; SMN2LOXL2KMT2A
SCHEMBL4832980 0.81 LOXL2 (0.53) LOXL2KMT2AHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL27923353 0.80 PSIP1 (0.51) PSIP1KDM4ESMN1; SMN2HTTNPSR1
SCHEMBL4712869 0.80 ALDH1A1 (0.61) KDM4ESMN1; SMN2KMT2AHTTALDH1A1

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-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 PSIP1 3712/4885KDM4E 1161/4885SMN1; SMN2 4193/4885

“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.