SCHEMBL22017435

SCHEMBL22017435

CC(C)(C)OC(=O)CC[C@H](NC(=O)Nc1ccc(CO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
FOLH1 Q04609 1/20 0.41
CCKBR P32239 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FPR2 P25090 7/20 0.39
LTA4H P09960 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
P2RY12 Q9H244 1/20 0.37
NPR3 P17342 2/20 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
SCHEMBL25751725 0.91 CA12 (0.49) CA12CA1CA2CA9FOLH1
SCHEMBL28410998 0.85 CA12 (0.49) CA12CA1CA2CA9FOLH1
SCHEMBL28410997 0.85 CA12 (0.49) CA12CA1CA2CA9FOLH1
SCHEMBL14497729 0.83 CA12 (0.69) CA12CA1CA2CA9FOLH1
SCHEMBL17285795 0.81 LTA4H (0.47) CA12CA1CA2CA9GAA
SCHEMBL17285697 0.81 LTA4H (0.47) CA12CA1CA2CA9GAA
SCHEMBL29308003 0.78 HSD17B10 (0.42) CA1CA2FPR2LTA4HHDAC8
SCHEMBL12950602 0.78 TDP1 (0.54) CA12CA1CA2CA9FOLH1
SCHEMBL18921010 0.77 SPHK1 (0.47) LTA4HHDAC8
SCHEMBL18921008 0.77 SPHK1 (0.47) LTA4HHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-06-22 US disclosed
US-20200157518-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY FOR CANCER MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-21 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-20200157518-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY FOR CANCER CD2, PBK, CD4 CA12 41/4885CA1 125/4885CA2 800/4885
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY HAVCR2, CD4, CCR1 CA12 178/4885CA1 286/4885CA2 1038/4885

“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.