SCHEMBL16296408

SCHEMBL16296408

C[C@@H](C(=O)Nc1ccc(OBOc2ccc(NC(=O)[C@H](C)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KLK7 P49862 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL28015606 0.80 MEN1 (0.51) LMNAGAAMEN1KMT2ACYP1A2
SCHEMBL15416568 0.80 MEN1 (0.51) LMNAGAAMEN1KMT2ACYP1A2
SCHEMBL16307627 0.79 MAPT (0.63) LMNAGAAMEN1KMT2ACYP1A2
SCHEMBL16296251 0.77 KMT2A (0.49) LMNAGAAMEN1KMT2ACYP1A2
SCHEMBL15416100 0.77 KMT2A (0.49) LMNAGAAMEN1KMT2ACYP1A2
SCHEMBL1817848 0.76 MEN1 (0.58) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL10915040 0.74 MAPT (0.47) LMNAGAAMEN1KMT2ACYP1A2
SCHEMBL13448758 0.73 GRM7 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13448757 0.73 GRM7 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17086763 0.73 GRM7 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
EP-3008062-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 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-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES TK1, PNKP, MPST LMNA 982/4885GAA 81/4885MEN1 1388/4885

“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.