SCHEMBL18110429

SCHEMBL18110429

CN[C@H](C(=O)O)[C@H](O)[C@@H](C)CCCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.48
PTAFR P25105 4/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.43
CHRNA7 P36544 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL18110395 1.00 TBXAS1 (0.48) TBXAS1PTAFRKDM4ELMNACHRNA7
SCHEMBL18110393 0.85 MAPK1 (0.38) LMNA
SCHEMBL18110415 0.80 LMNA (0.35) KDM4ELMNA
SCHEMBL18112891 0.79 SMN1; SMN2 (0.33)
SCHEMBL18110380 0.79 SMN1; SMN2 (0.33)
SCHEMBL18110355 0.79 CYP1A2 (0.42)
SCHEMBL10398649 0.78 TBXAS1 (0.59) TBXAS1PTAFRKDM4ELMNATDP1
SCHEMBL10398650 0.78 TBXAS1 (0.59) TBXAS1PTAFRKDM4ELMNATDP1
SCHEMBL18110391 0.78 ADAMTS4 (0.41)
SCHEMBL18110390 0.77 MMP13 (0.42) LMNA

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 TBXAS1 1038/4885PTAFR 3532/4885KDM4E 2474/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB TBXAS1 1038/4885PTAFR 3532/4885KDM4E 2474/4885

“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.