SCHEMBL5607758

SCHEMBL5607758

N[C@@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.50
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 4/20 0.48
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC7A5 Q01650 3/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL27754712 1.00 PGR (0.50) PGRCYP3A4CYP2D6PSEN1PSEN2
SCHEMBL27754835 0.89 PGR (0.64) PGRLMNAHDAC1HDAC3HDAC4
SCHEMBL5607232 0.89 PGR (0.64) PGRLMNAHDAC1HDAC3HDAC4
SCHEMBL5608211 0.88 CES1 (0.58) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL27734527 0.88 CES1 (0.58) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL31702460 0.88 CES1 (0.58) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL19234895 0.88 CES1 (0.58) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL5607147 0.85 KMT2A (0.56) PGRCYP3A4CYP2D6MEN1ALDH1A1
SCHEMBL27754749 0.85 KMT2A (0.56) PGRCYP3A4CYP2D6MEN1ALDH1A1
SCHEMBL5607710 0.85 ITGB1 (0.60) CYP3A4ALDH1A1SMN1; SMN2SLC7A5PTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP PGR 3092/4885CYP3A4 2585/4885CYP2D6 2043/4885

“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.