SCHEMBL5989845

SCHEMBL5989845

CCOC(=O)c1cc(Br)c(OCOC)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ESR1 P03372 2/20 0.44
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
ESR2 Q92731 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL5991186 0.90 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL403026 0.89 HSD17B10 (0.42) CA12CA1CA2CA7CA9
SCHEMBL397989 0.89 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL2645488 0.81 HSD17B2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL13554421 0.80 CYP4F2 (0.40) MAPTCYP1A2CYP3A4KMT2ASMN1; SMN2
SCHEMBL12644424 0.80 P4HB (0.42) CA2MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3897901 0.78 HSD17B2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL403025 0.77 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5992160 0.77 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10205503 0.76 SMN1; SMN2 (0.53) NCOA1NCOA3MAPTTSHRL3MBTL1

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 CA12 3071/4885CA1 4108/4885CA2 1574/4885
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 CA12 3075/4885CA1 4108/4885CA2 1583/4885
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 CA12 3071/4885CA1 4108/4885CA2 1574/4885

“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.