SCHEMBL18781756

SCHEMBL18781756

CC(C)(C)OC(=O)C[C@H](I)/C=C(\Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ PTPRC P08575 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL7888214 0.85 ABCB1 (0.38) ABCB1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL19015969 0.81 ABCB1 (0.46) ABCB1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL7886129 0.81 ABCB1 (0.46) ABCB1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL18782006 0.79 CYP2D6 (0.36) —
SCHEMBL7967484 0.75 ABCB1 (0.39) ABCB1CA2CA9ALDH1A1LMNA
SCHEMBL19015928 0.68 ABCB1 (0.40) ABCB1CA2CA9HSD11B1CA12
SCHEMBL7746226 0.68 HSD11B1 (0.44) ABCB1CA2CA9ALDH1A1HSD11B1
SCHEMBL7887287 0.68 CTSB (0.42) ABCB1CA2CA9HSD11B1CA12
SCHEMBL19015802 0.68 CTSB (0.42) ABCB1CA2CA9HSD11B1CA12
SCHEMBL6153944 0.67 ABCB1 (0.41) ABCB1CA2CA9ALDH1A1HSD11B1

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-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — 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-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 ABCB1 1125/4885CA2 2028/4885CA9 2750/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 ABCB1 1125/4885CA2 2028/4885CA9 2750/4885

“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.

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