SCHEMBL19638457

SCHEMBL19638457

CC(C)(C)C1c2ccc(Br)cc2CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.47
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
SRD5A1 P18405 2/20 0.37
AKR1C3 P42330 2/20 0.37
SRD5A2 P31213 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ2 O43526 1/20 0.35
RIPK1 Q13546 1/20 0.35
HSD17B3 P37058 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL31546529 0.92 CAMK2A (0.43) CAMK2ADPP4DPP8SRD5A1AKR1C3
SCHEMBL2123936 0.92 CAMK2A (0.43) CAMK2ADPP4DPP8SRD5A1AKR1C3
SCHEMBL2121418 0.85 CAMK2A (0.40) CAMK2ADPP8SRD5A1AKR1C3SRD5A2
SCHEMBL2984099 0.85 DPP4 (0.38) CAMK2ADPP4DPP8SRD5A1AKR1C3
SCHEMBL4639207 0.85 BRD4 (0.42) DPP4DPP8PDK1PDK2PDK3
SCHEMBL20768178 0.82 DPP4 (0.39) CAMK2ADPP4DPP8AKR1C3ESR1
SCHEMBL31020103 0.82 DPP4 (0.39) CAMK2ADPP4DPP8AKR1C3ESR1
SCHEMBL3664186 0.81 DPP4 (0.42) DPP4DPP8AKR1C3
SCHEMBL3657288 0.81 HDAC6 (0.40) DPP4DPP8ESR1
SCHEMBL4032578 0.77 ESR1 (0.51) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-01 US disclosed
CN-107108591-B Resorcinol derivatives as HSP90 inhibitors 正大天晴药业集团股份有限公司 2020-05-05 CN disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP 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 (4 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-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P CAMK2A 2573/4885DPP4 3266/4885DPP8 3776/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P CAMK2A 2573/4885DPP4 3266/4885DPP8 3776/4885
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE CAMK2A 582/4885DPP4 81/4885DPP8 153/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE CAMK2A 582/4885DPP4 81/4885DPP8 153/4885

“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.