SCHEMBL6799985

SCHEMBL6799985

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
NR1D1 P20393 1/20 0.41
MC4R P32245 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6799990 1.00 ITGA4 (0.51) ITGA4ITGB7MEN1KMT2ASMN1; SMN2
SCHEMBL6827938 0.89 ITGA4 (0.46) ITGA4ITGB7MEN1KMT2ASMN1; SMN2
SCHEMBL6827943 0.89 ITGA4 (0.46) ITGA4ITGB7MEN1KMT2ASMN1; SMN2
SCHEMBL1491432 0.83 CYP2D6 (0.47) ITGA4ITGB7KMT2ASMN1; SMN2RAB9A
SCHEMBL1491427 0.83 CYP2D6 (0.47) ITGA4ITGB7KMT2ASMN1; SMN2RAB9A
SCHEMBL7281801 0.82 MEN1 (0.52) ITGA4ITGB7MEN1KMT2ASMN1; SMN2
SCHEMBL30841268 0.82 ITGA4 (0.45) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL2387240 0.82 ITGA4 (0.52) ITGA4ITGB7MEN1KMT2ASMN1; SMN2
SCHEMBL6795785 0.81 PTPRB (0.51)
SCHEMBL6798124 0.81 PTPRB (0.51)

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE ITGA4 4015/4885ITGB7 4071/4885MEN1 4379/4885

“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.