SCHEMBL29915508

SCHEMBL29915508

C=C(C)C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CTSK P43235 9/20 0.43
CTSS P25774 6/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CAPN1 P07384 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL263105 0.91 PPARA (0.47) TSHRCTSKCTSSCTSLCTSB
SCHEMBL29915584 0.91 PPARA (0.47) TSHRCTSKCTSSCTSLCTSB
SCHEMBL1688831 0.85 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL19696791 0.81 CYP1A2 (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL19696792 0.81 CYP1A2 (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1688822 0.80 CTSS (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL6610942 0.78 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4835696 0.78 PPARA (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL31385382 0.78 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13044371 0.78 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220325072-A1 ZWITTERIONIC CROSSLINKERS, HYDROGELS COMPRISING ZWITTERIONIC CROSSLINKERS, AND METHODS FOR MAKING AND USING UNIVERSITY OF IDAHO 2022-10-13 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 (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-20220325072-A1 ZWITTERIONIC CROSSLINKERS, HYDROGELS COMPRISING ZWITTERIONIC CROSSLINKERS, AND METHODS FOR MAKING AND USING ASS1, GFER, ASIC1 TSHR 1073/4885CTSK 4753/4885CTSS 4677/4885

“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.