SCHEMBL5164880

SCHEMBL5164880

COc1ccccc1S(=O)(=O)NCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.53
HPGD P15428 2/20 0.51
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
GBA1 P04062 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTR7 P34969 1/20 0.47
CNR2 P34972 3/20 0.47
CNR1 P21554 2/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5167099 1.00 PI4KB (0.53) PI4KBHPGDADRA1AADRA1BBCL2L1
SCHEMBL26536805 0.85 HTT (0.49) PI4KBHPGDADRA1AADRA1BSMN1; SMN2
SCHEMBL27917833 0.81 TGFBR1 (0.54) ADRA1AADRA1BSMN1; SMN2ALDH1A1HTR7
SCHEMBL1587204 0.79 MAPT (0.62) PI4KBBCL2L1MCL1SMN1; SMN2ALDH1A1
SCHEMBL11705019 0.78 NPY5R (0.62) HPGDBCL2L1MCL1SMN1; SMN2GBA1
SCHEMBL7702998 0.78 MAPT (0.59) HPGDBCL2L1MCL1SMN1; SMN2GBA1
SCHEMBL5163011 0.77 TGFBR1 (0.56) ALDH1A1
SCHEMBL29183291 0.74 ALDH1A1 (0.64) HPGDSMN1; SMN2ALDH1A1CNR2CNR1
SCHEMBL28593071 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL7886816 0.74 GBA1 (0.83) BCL2L1MCL1SMN1; SMN2GBA1ALDH1A1

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
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS PI4KB 227/4885HPGD 2983/4885ADRA1A 4657/4885

“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.