SCHEMBL18110339

SCHEMBL18110339

CN[C@H](C(=O)O)[C@H](O)[C@H](C)CCOCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
CYP19A1 P11511 2/20 0.39
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.33
PPARA Q07869 1/20 0.32
FOLH1 Q04609 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR132 Q9UNW8 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL18110390 0.83 MMP13 (0.42) ADAMTS4MMP13CYP19A1LMNAMAPT
SCHEMBL18110393 0.81 MAPK1 (0.38) ADAMTS4MMP13CYP19A1LMNAMAPT
SCHEMBL18110405 0.74 ITGB3 (0.32) ADAMTS4LMNAMAPTMAPK1TSHR
SCHEMBL18127479 0.73 CYP19A1 (0.41) MMP13CYP19A1MAOBLMNAMAPT
SCHEMBL18110404 0.70 PTPRA (0.47) ADAMTS4LMNAMAPTTSHRALDH1A1
SCHEMBL18110429 0.70 TBXAS1 (0.48) LMNAL3MBTL1
SCHEMBL18110395 0.70 TBXAS1 (0.48) LMNAL3MBTL1
SCHEMBL18110391 0.69 ADAMTS4 (0.41) ADAMTS4MMP13MAPK1SMN1; SMN2
SCHEMBL17909990 0.67 ALDH1A1 (0.36) L3MBTL1ALDH1A1
SCHEMBL22127560 0.67 HTT (0.46) MAPTTSHRALDH1A1PPARAFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077289-B2 Cyclosporins modified on the MeBmt sidechain by heterocyclic rings ALLERGAN, INC. (US) 2018-09-18 US disclosed
EP-3277704-A1 CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS ALLERGAN, INC. (US) 2018-02-07 EP disclosed
WO-2016160362-A1 CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS ALLERGAN, INC. (US) 2016-10-06 WO disclosed
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 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-10077289-B2 Cyclosporins modified on the MeBmt sidechain by heterocyclic rings CHP1, UACA, CRYAB ADAMTS4 4513/4885MMP13 4108/4885CYP19A1 1670/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB ADAMTS4 4513/4885MMP13 4108/4885CYP19A1 1670/4885

“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.