SCHEMBL17458949

SCHEMBL17458949

CCS(=O)(=O)N1CCC(Cn2ncc([N+](=O)[O-])c2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MCOLN3 Q8TDD5 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
VCAM1 P19320 1/20 0.38
MAPT P10636 2/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL19163453 0.87 MCOLN3 (0.40) PKMMCOLN3ALDH1A1SMN1; SMN2LMNA
SCHEMBL6155541 0.84 LMNA (0.40) PKMMCOLN3ALDH1A1SMN1; SMN2LMNA
SCHEMBL19222890 0.83 CRHR1 (0.39) ALDH1A1LMNACYP2C9CYP2C19POLB
SCHEMBL17458967 0.83 LMNA (0.44) PKMMCOLN3SMN1; SMN2LMNAMAPT
SCHEMBL17458974 0.81 LMNA (0.35) ALDH1A1SMN1; SMN2LMNACYP2C9POLB
SCHEMBL17458924 0.81 LMNA (0.40) PKMALDH1A1SMN1; SMN2LMNACYP2C9
SCHEMBL16985416 0.80 SMN1; SMN2 (0.38) PKMMCOLN3ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16832444 0.78 POLB (0.41) PKMALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19170334 0.77 LMNA (0.33) MCOLN3ALDH1A1LMNA
SCHEMBL17458925 0.77 PKM (0.44) PKMMCOLN3ALDH1A1SMN1; SMN2LMNA

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
CN-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 CN disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 CN disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 PKM 344/4885MCOLN3 2587/4885ALDH1A1 432/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 PKM 307/4885MCOLN3 2758/4885ALDH1A1 325/4885

“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.