SCHEMBL3334244

SCHEMBL3334244

N[C@H]([C]=O)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ITGA4 P13612 17/20 0.46
ITGB1 P05556 4/20 0.46
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3334242 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ITGA4ITGB1MEN1ALDH1A1
SCHEMBL13923528 0.82 SLC6A4 (0.53) SMN1; SMN2ITGA4ITGB1
SCHEMBL3925001 0.80 LTA4H (0.61) SMN1; SMN2
SCHEMBL6285380 0.80 LTA4H (0.61) SMN1; SMN2
SCHEMBL6285385 0.80 LTA4H (0.61) SMN1; SMN2
SCHEMBL5719872 0.80 ITGA4 (0.50) SMN1; SMN2ITGA4ITGB1MEN1ALDH1A1
SCHEMBL1312190 0.80 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL5719875 0.80 ITGA4 (0.50) SMN1; SMN2ITGA4ITGB1MEN1ALDH1A1
SCHEMBL1312192 0.80 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL14037387 0.80 ITGA4 (0.55) ITGA4ITGB1

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-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2010-06-10 US disclosed
WO-2008124756-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-10-16 WO disclosed
EP-0094233-B1 IMMUNE MODULATOR PEPTIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1985-08-28 EP 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-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER BDKRB1, BDKRB2, HPGDS SMN1; SMN2 4671/4885ITGA4 2484/4885ITGB1 1797/4885

“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.