SCHEMBL6037641

SCHEMBL6037641

C[C@@](N)(C(=O)O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP2C19 P33261 1/20 0.47
CYP19A1 P11511 3/20 0.46
KCNA5 P22460 2/20 0.45
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43

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
SCHEMBL6979883 1.00 CYP1A2 (0.54) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL6979885 1.00 CYP1A2 (0.54) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL10772486 0.81 LMNA (0.57) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL4702232 0.81 LMNA (0.67) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL1690472 0.80 LMNA (0.56) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL30435487 0.80 CYP1A2 (0.56) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL1827065 0.80 CYP1A2 (0.56) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL28811862 0.79 CYP1A2 (0.54) CYP1A2LMNACYP3A4CYP11B1CYP11B2
SCHEMBL59841 0.78 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL220775 0.78 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189539-A1 Novel GnRH analogues with antitumour effects and pharmaceutical compositions thereof CREIGHTON UNIVERSITY 2006-08-24 US disclosed
EP-0728012-B1 NOVEL GnRH ANALOGUES WITH ANTITUMOUR EFFECTS AND PHARMACEUTICAL COMPOSITIONS THEREOF LOVAS SANDOR (US) 2004-02-18 EP disclosed
US-6664369-B1 Gonadotropin-releasing hormone (GnRH); Modified GnRH/peptide or cyclic peptide compositions coupled with polymer carriers yield slow-release pharmacologically active molecules having various anticarcinogenic properties CREIGHTON UNIVERSITY 2003-12-16 US disclosed
EP-0728012-A4 NOVEL GnRH ANALOGUES WITH ANTITUMOUR EFFECTS AND PHARMACEUTICAL COMPOSITIONS THEREOF LOVAS SANDOR (US) 1998-12-23 EP disclosed
EP-0728012-A1 NOVEL GnRH ANALOGUES WITH ANTITUMOUR EFFECTS AND PHARMACEUTICAL COMPOSITIONS THEREOF Lovas, Sandor (US) 1996-08-28 EP disclosed
WO-1996004927-A1 NOVEL GnRH ANALOGUES WITH ANTITUMOUR EFFECTS AND PHARMACEUTICAL COMPOSITIONS THEREOF LOVAS SANDOR (US) 1996-02-22 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-20060189539-A1 Novel GnRH analogues with antitumour effects and pharmaceutical compositions thereof GNRHR, LHCGR, GHRHR CYP1A2 4579/4885LMNA 4214/4885CYP3A4 4530/4885

“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.