SCHEMBL5989554

SCHEMBL5989554

COCOc1c(-c2ccc3c(c2)OCO3)cc(C(=O)O)cc1-c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
PTPN11 Q06124 1/20 0.44
PTGER4 P35408 1/20 0.44
SRD5A2 P31213 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 3/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
EGFR P00533 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCZ Q05513 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5990234 0.86 PRKCI (0.53) ALDH1A1MEN1KMT2AHSD17B10HPGD
SCHEMBL27660779 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1PTGER4SRD5A2MEN1
SCHEMBL5989587 0.74 EGFR (0.48) MEN1KMT2AHSD17B10EGFR
SCHEMBL5991761 0.73 EGFR (0.47) EGFRNPC1RAB9AL3MBTL1CYP2C9
SCHEMBL5990343 0.73 CNR2 (0.49) ALDH1A1MEN1KMT2AHSD17B10EGFR
SCHEMBL7650593 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1PTPN11SRD5A2MEN1
SCHEMBL5989858 0.72 TRIM24 (0.51) ALDH1A1EGFRNPC1RAB9ACYP2C9
SCHEMBL2945422 0.71 ALDH1A1 (0.73) ALDH1A1MAPK1PTGER4SRD5A2MEN1
SCHEMBL10280413 0.71 ALDH1A1 (0.53) ALDH1A1MAPK1PTGER4MEN1KMT2A
SCHEMBL7652092 0.70 ALDH1A1 (0.50) ALDH1A1MAPK1SRD5A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008636-B2 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2006-03-07 US disclosed
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2004-10-28 US disclosed
US-6765021-B2 ANTIDIABETIC AGENTS WYETH 2004-07-20 US disclosed
US-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-05-01 US disclosed
US-6451827-B2 MODULATING BLOOD GLUCOSE CONCENTRATION WYETH 2002-09-17 US disclosed
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-08-30 US disclosed
US-6214877-B1 ANTIDIABETIC AGENTS; MODULATOR OF GLUCOSE CONCENTRATION WYETH 2001-04-10 US disclosed
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 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 (3 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-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 ALDH1A1 3544/4885MAPK1 3651/4885PTPN11 1433/4885
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 ALDH1A1 3544/4885MAPK1 3654/4885PTPN11 1431/4885
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 ALDH1A1 3544/4885MAPK1 3651/4885PTPN11 1433/4885

“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.