SCHEMBL2809670

SCHEMBL2809670

CCc1cc2c(O)cc(C(=O)O)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.46
KDM4E B2RXH2 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
SELL P14151 1/20 0.41
HPGD P15428 1/20 0.41
SELP P16109 1/20 0.41
FUT4 P22083 1/20 0.41
DPP4 P27487 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
SCHEMBL642332 0.82 CA12 (0.49) SLC22A12CA12CA1CA2MAPT
SCHEMBL28003193 0.81 CA12 (0.39) SLC22A12KDM4ECA12CA1CA2
SCHEMBL18585733 0.78 KDM4E (0.45) SLC22A12KDM4ECA12CA1CA2
SCHEMBL12096110 0.78 KDM4E (0.45) SLC22A12KDM4ECA12CA1CA2
SCHEMBL2806039 0.74 SLC22A12 (0.46) SLC22A12KDM4ECA12CA1CA2
SCHEMBL17550618 0.74 SLC22A12 (0.40) SLC22A12CA12CA1CA2CA4
SCHEMBL21456012 0.73 SLC22A12 (0.39) SLC22A12MCL1
SCHEMBL28003194 0.73 KDM4E (0.40) KDM4ECA12CA1CA2MAPT
SCHEMBL10253235 0.73 GCK (0.47) SLC22A12KDM4EALDH1A1LMNAMAPK1
SCHEMBL2268224 0.69 SLC22A12 (0.47) SLC22A12CA12CA1CA9LMNA

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
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 US disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 US disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 SLC22A12 2804/4885KDM4E 689/4885CA12 4571/4885
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 SLC22A12 959/4885KDM4E 1787/4885CA12 2321/4885

“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.