SCHEMBL6047685

SCHEMBL6047685

C[C@H](N)C(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 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
SCHEMBL14690329 1.00 MLYCD (0.48) MLYCDALDH1A1GLATSHR
SCHEMBL10487589 0.87 MLYCD (0.49) MLYCD
SCHEMBL28110901 0.87 MLYCD (0.46) MLYCDALDH1A1GLATSHR
SCHEMBL10487587 0.87 MLYCD (0.49) MLYCD
SCHEMBL10333122 0.87 ALDH1A1 (0.43) ALDH1A1GLATSHR
SCHEMBL10425651 0.87 ALDH1A1 (0.43) ALDH1A1GLATSHR
SCHEMBL9716707 0.86 MLYCD (0.61) MLYCDALDH1A1GLATSHR
SCHEMBL5493790 0.85 MLYCD (0.45) MLYCDALDH1A1GLATSHR
SCHEMBL10951512 0.84 ALDH1A1 (0.61) MLYCDALDH1A1GLATSHR
SCHEMBL5967205 0.84 MLYCD (0.50) MLYCDALDH1A1GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US claimed
US-5892043-A MIXTURE WITH POLYSACCHARIDE AND PEPTIDE; ANTITUMOR AGENT TANABE SEIYAKU CO., LTD. (JP) 1999-04-06 US claimed
EP-0757049-B1 Camptothecin derivatives TANABE SEIYAKU CO (JP) 1999-03-24 EP claimed
US-20130039930-A1 BIOMARKER FOR SENSITIVITY TO THERAPY WITH A NOTCH INHIBITOR VEGENICS PTY LIMITED (AU) 2013-02-14 US disclosed
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-03-09 US disclosed
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
US-4736066-A Intermediate for substituted peptide compounds E. R. SQUIBB & SONS, INC. (US) 1988-04-05 US disclosed
EP-0071544-B1 PHOSPHONAMIDATE COMPOUNDS E.R. Squibb & Sons, Inc. (US) 1986-10-08 EP disclosed
US-4535176-A HYPOTENSIVE AGENTS, ANALGESICS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-08-13 US disclosed
US-4470973-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1984-09-11 US disclosed
US-4432971-A HYPOTENSIVE AGENTS AND ANGIOTENSIN INHIBITION E. R. SQUIBB & SONS, INC. (US) 1984-02-21 US disclosed
US-4432972-A HYPOTENSIVE AGENTS, KANALGESICS, AND ANGIOTENSIN AND ENKEPHALIN INHIBITION E. R. SQUIBB & SONS, INC. (US) 1984-02-21 US disclosed
EP-0071544-A1 Phosphonamidate compounds E.R. Squibb & Sons, Inc. (US) 1983-02-09 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 (2 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-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC MLYCD 4005/4885ALDH1A1 4169/4885GLA 2345/4885
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC MLYCD 4005/4885ALDH1A1 4169/4885GLA 2345/4885

“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.