SCHEMBL1828830

SCHEMBL1828830

Cc1cc(C[C@H](NO)C(=O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
FOLH1 Q04609 4/20 0.47
KDM6B O15054 1/20 0.45
CA2 P00918 4/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
LCK P06239 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL1828829 1.00 ESR1 (0.49) ESR1ESR2FOLH1KDM6BCA2
SCHEMBL24489505 0.86 KDM6B (0.47) ESR1ESR2FOLH1KDM6BCA2
SCHEMBL29429645 0.85 KDM6B (0.62) ESR1FOLH1KDM6BCA2MME
SCHEMBL5063603 0.85 KDM6B (0.62) ESR1FOLH1KDM6BCA2MME
SCHEMBL7372381 0.82 MME (0.44) ESR1ESR2FOLH1KDM6BCA2
SCHEMBL23314718 0.80 FOLH1 (0.50) FOLH1CA2MMEACELCK
SCHEMBL2029160 0.79 KDM6B (0.72) ESR1ESR2KDM6BMMEACE
SCHEMBL13604872 0.79 ESR1 (0.53) ESR1ESR2FOLH1KDM6BNR3C1
SCHEMBL11930754 0.78 FOLH1 (0.74) FOLH1
SCHEMBL15565481 0.78 ACE (0.58) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175665-A1 ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL IPSEN PHARMA S.A.S. (FR) 2015-06-25 US disclosed
US-8999940-B2 Analogues of glucose-dependent insulinotropic polypeptide (GIP) modified at N-terminal IPSEN PHARMA S.A.S. (FR) 2015-04-07 US disclosed
EP-2769986-A2 Analogues of glucose-dependent insulinotropic polypeptide (GIP) modified at N-terminal IPSEN PHARMA S.A.S. (FR) 2014-08-27 EP disclosed
US-20110136725-A1 ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL BIOMEASURE, INCORPORATED 2011-06-09 US disclosed
EP-2318433-A2 ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL IPSEN PHARMA S.A.S. (FR) 2011-05-11 EP disclosed
WO-2010016944-A2 ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL IPSEN PHARMA S.A.S. (FR) 2010-02-11 WO disclosed
WO-2010016936-A1 PHARMACEUTICAL COMPOSITIONS OF ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE IPSEN PHARMA S.A.S. (FR) 2010-02-11 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 (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-20150175665-A1 ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL GIPR, GPR119, GLP1R ESR1 1736/4885ESR2 1206/4885FOLH1 1299/4885
US-20110136725-A1 ANALOGUES OF GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) MODIFIED AT N-TERMINAL GIPR, GPR119, GLP1R ESR1 1683/4885ESR2 1173/4885FOLH1 1282/4885

“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.