SCHEMBL18110352

SCHEMBL18110352

CN[C@H](C(=O)O)[C@H](OC(C)=O)[C@H](C)CC=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6206731 0.82 ALDH1A1 (0.42) TSHRALDH1A1TDP1
SCHEMBL6208122 0.81 ALOX15 (0.39) TSHRALDH1A1TDP1
SCHEMBL6206729 0.79 TSHR (0.32) TSHRALDH1A1TDP1
SCHEMBL17909979 0.76
SCHEMBL18110338 0.73 LMNA (0.36) TSHRALDH1A1TDP1
SCHEMBL15722793 0.70 TSHR (0.42) TSHRTDP1
SCHEMBL5225784 0.70 TSHR (0.42) TSHRALDH1A1
SCHEMBL10308597 0.70 TSHR (0.42) TSHRALDH1A1
SCHEMBL6207768 0.70
SCHEMBL13866796 0.69

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 TSHR 4258/4885ALDH1A1 4478/4885TDP1 3927/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB TSHR 4258/4885ALDH1A1 4478/4885TDP1 3927/4885

“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.