SCHEMBL4430478

SCHEMBL4430478

COCCOc1c(C(=O)O)cccc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
TSHR P16473 2/20 0.41
SYK P43405 1/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 1/20 0.39
PTK2B Q14289 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
APEX1 P27695 1/20 0.37
CA1 P00915 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
SCHEMBL5133149 0.82 BCAT2 (0.39) BCAT2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL646150 0.82 PTGER4 (0.35) TSHRSYKMAPK1ALDH1A1
SCHEMBL6169371 0.82 F2 (0.48) BCAT2TSHRMAPK1ALOX15F2
SCHEMBL7976218 0.81 PRKAB2 (0.37) MAPK1ALDH1A1HPGD
SCHEMBL28277529 0.79 ALDH1A1 (0.54) TSHRSYKMAPK1ALDH1A1KMT2A
SCHEMBL2216094 0.79 ALDH1A1 (0.57) TSHRSYKMAPK1ALDH1A1KMT2A
SCHEMBL30569545 0.78 BCAT2 (0.43) BCAT2TSHRMAPK1ALOX15F2
SCHEMBL3867685 0.74 ALDH1A1 (0.35) BCAT2TSHRF2ALDH1A1KDM4E
SCHEMBL24886361 0.74 ALDH1A1 (0.37) TSHRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL1036538 0.72 ALDH1A1 (0.33) TSHRALDH1A1KDM4EHPGDHSD17B10

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-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 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-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 BCAT2 225/4885TSHR 4739/4885SYK 427/4885

“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.