SCHEMBL3189254

SCHEMBL3189254

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
CTSS P25774 3/20 0.57
PSENEN Q9NZ42 1/20 0.50
CA2 P00918 3/20 0.44
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL15488335 1.00 CTSK (0.57) CTSKCTSSPSENENCA2CA1
SCHEMBL15488043 1.00 CTSK (0.57) CTSKCTSSPSENENCA2CA1
SCHEMBL21767271 1.00 CTSK (0.57) CTSKCTSSPSENENCA2CA1
SCHEMBL8466501 0.88 CTSS (0.59) CTSKCTSSPSENENCA2CA1
SCHEMBL8466502 0.88 CTSS (0.59) CTSKCTSSPSENENCA2CA1
SCHEMBL3730087 0.86 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL3730085 0.86 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL28469162 0.86 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL17011363 0.86 CTSK (0.54) CTSKCTSSPSENENCA2CA1
SCHEMBL3180769 0.86 CTSK (0.54) CTSKCTSSPSENENCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199097-A1 POMALIDOMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR NANJING NORATECH PHARMACEUTICALS CO., LTD (CN) 2020-06-25 US disclosed
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. (US) 2019-11-21 US disclosed
US-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ACLARIS THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2018-07-26 US disclosed
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2018-07-26 US disclosed
CN-103626765-B Substituted azaindole compounds and salt, compositions and purposes 广东东阳光药业有限公司 2016-08-10 CN disclosed
US-7674912-B2 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2010-03-09 US disclosed
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-11-23 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 (5 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-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ITK, PDXK, WEE1 CTSK 143/4885CTSS 2188/4885PSENEN 3318/4885
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, WEE1 CTSK 143/4885CTSS 2188/4885PSENEN 3318/4885
US-20200199097-A1 POMALIDOMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR WEE2, WEE1, HASPIN CTSK 3193/4885CTSS 2529/4885PSENEN 4010/4885
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA2B, ADORA1 CTSK 2500/4885CTSS 2402/4885PSENEN 515/4885
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, WEE1 CTSK 143/4885CTSS 2188/4885PSENEN 3318/4885

“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.