SCHEMBL18110405

SCHEMBL18110405

CN[C@H](C(=O)O)[C@H](O)[C@H](C)CCOc1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.32
ITGAV P06756 3/20 0.32
ITGB1 P05556 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB6 P18564 1/20 0.32
PPIA P62937 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31
ACACB O00763 2/20 0.31
ADAMTS4 O75173 1/20 0.31
PTPRA P18433 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18110404 0.79 PTPRA (0.47) LMNATDP1ADAMTS4PTPRASMN1; SMN2
SCHEMBL18112891 0.78 SMN1; SMN2 (0.33) ADAMTS4PTPRASMN1; SMN2CYP1A2CYP2D6
SCHEMBL18110380 0.78 SMN1; SMN2 (0.33) ADAMTS4PTPRASMN1; SMN2CYP1A2CYP2D6
SCHEMBL18110340 0.74 CYP1A2 (0.45) LMNATDP1PTPRASMN1; SMN2ALDH1A1
SCHEMBL18110339 0.74 ADAMTS4 (0.40) LMNAADAMTS4SMN1; SMN2ALDH1A1MAPT
SCHEMBL18110372 0.74 CYP1A2 (0.44) LMNATDP1PTPRASMN1; SMN2ALDH1A1
SCHEMBL18110390 0.71 MMP13 (0.42) LMNAACACBADAMTS4SMN1; SMN2ALDH1A1
SCHEMBL17909990 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL18127484 0.70 HTT (0.37) ACACB
SCHEMBL17909986 0.70 GABRR1 (0.45) ALDH1A1

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 ITGB3 3117/4885ITGAV 4480/4885ITGB1 2442/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB ITGB3 3117/4885ITGAV 4480/4885ITGB1 2442/4885

“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.