SCHEMBL402057

SCHEMBL402057

CCOC(=O)CNNC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.41
TRPA1 O75762 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
PPID Q08752 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7434068 0.89 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8042585 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23561304 0.82 GAA (0.65) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1060092 0.81 CYP1A2 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9404556 0.78 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11193860 0.76 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13850724 0.76
SCHEMBL28604705 0.75 LMNA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12894561 0.74
SCHEMBL28014139 0.74

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 US disclosed
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 US disclosed
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 US disclosed
US-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 US disclosed
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20070021431-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
EP-1740588-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2007-01-10 EP disclosed
US-20060084655-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2006-04-20 US disclosed
WO-2005116032-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2005-12-08 WO disclosed
US-20050059628-A1 Modulation of beta-catenin/TCF-activated transcription CHOONGWAE PHARMA CORPORATION (KR) 2005-03-17 US disclosed
US-20040072831-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2004-04-15 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 (7 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-20060084655-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 GAA 3736/4885MGAM 3548/4885SI 185/4885
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 GAA 3736/4885MGAM 3548/4885SI 185/4885
US-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 GAA 3736/4885MGAM 3548/4885SI 185/4885
US-20070021431-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 GAA 3736/4885MGAM 3548/4885SI 185/4885
US-20050059628-A1 Modulation of beta-catenin/TCF-activated transcription TCF4, TCF7, TCF7L2 GAA 3384/4885MGAM 3846/4885SI 2031/4885
US-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 GAA 3736/4885MGAM 3548/4885SI 185/4885
US-20040072831-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 GAA 3717/4885MGAM 3584/4885SI 181/4885

“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.