SCHEMBL16832238

SCHEMBL16832238

NC(=O)c1cc(C(=O)O)c2ccc(Cl)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.51
▸ PTGES O14684 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NQO2 P16083 1/20 0.44
▸ KMO O15229 1/20 0.44
▸ DHODH Q02127 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ EIF4A1 P60842 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL16832263 0.89 PTGES (0.60) GRM2PTGESALDH1A1ALOX5CYP2C9
SCHEMBL15129999 0.89 ALDH1A1 (0.51) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL16832176 0.83 NQO2 (0.60) GRM2NQO2MAPT
SCHEMBL16832747 0.82 GRM2 (0.51) GRM2ALDH1A1NQO2DHODH
SCHEMBL5760270 0.81 POLB (0.60) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL1147961 0.81 NR4A2 (0.57) GRM2NQO2KMT2APOLBLMNA
SCHEMBL14514060 0.81 GRM2 (0.53) GRM2NQO2KMOKMT2APOLB
SCHEMBL16832253 0.81 KDM4E (0.58) GRM2DHODHKMT2APOLBLMNA
SCHEMBL31716523 0.81 ALDH1A1 (0.53) PTGESALDH1A1ALOX5CYP2C9HPGD
SCHEMBL31716536 0.80 ALDH1A1 (0.51) PTGESALDH1A1ALOX5CYP2C9HPGD

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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 — — US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 — — EP disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 — — CN disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — WO disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — 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 (1 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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 GRM2 817/4885PTGES 1957/4885ALDH1A1 432/4885

“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.

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