SCHEMBL4179964

SCHEMBL4179964

CS(=O)(=O)OCCCn1nnc(-c2cccc(I)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4180507 0.77 MAPK1 (0.44) MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL5512243 0.77 MAPK1 (0.46) MAPK1MAPTALDH1A1RAB9ANPC1
SCHEMBL4802236 0.66 LMNA (0.46) ALDH1A1USP2SMN1; SMN2TSHRLMNA
SCHEMBL5740508 0.66 HPGD (0.34) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4175138 0.66
SCHEMBL8661648 0.65 LMNA (0.44) ALDH1A1USP2SMN1; SMN2TSHRLMNA
SCHEMBL17233042 0.65 LMNA (0.43) MAPTALDH1A1USP2RAB9ANPC1
SCHEMBL4265054 0.65 SMN1; SMN2 (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL4255014 0.65 SMN1; SMN2 (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL23625644 0.64 RAB9A (0.65) ALDH1A1USP2RAB9ATSHRL3MBTL1

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-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives PFIZER INC. (US) 2009-05-28 US disclosed
EP-1828162-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
WO-2006061706-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-06-15 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-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives MMP13, MMP11, MMP3 MAPK1 2026/4885MAPT 1673/4885ALDH1A1 395/4885

“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.