SCHEMBL8664394

SCHEMBL8664394

CC(O)c1noc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HIF1A Q16665 6/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
MAOB P27338 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL24796169 1.00 SORD (0.43) SORDESR1ESR2HIF1ACA12
SCHEMBL85415 0.84 CA12 (0.41) SORDESR1ESR2HIF1ACA12
SCHEMBL8663680 0.81 ESR1 (0.42) SORDESR1ESR2HIF1ACA12
SCHEMBL28970337 0.81 CA12 (0.39) SORDESR1ESR2HIF1ACA12
SCHEMBL13680770 0.81 CA12 (0.42) SORDESR1ESR2HIF1ACA12
SCHEMBL20992668 0.81 CA12 (0.39) SORDESR1ESR2HIF1ACA12
SCHEMBL17150578 0.81 CA12 (0.39) SORDESR1ESR2HIF1ACA12
SCHEMBL21976909 0.78 FAAH (0.43) ESR1ESR2HIF1ACA12CA1
SCHEMBL20229553 0.78 FAAH (0.43) ESR1ESR2HIF1ACA12CA1
SCHEMBL24795818 0.78 CA12 (0.44) ESR1ESR2HIF1ACA12CA1

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-20230202991-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-06-29 US disclosed
US-20230202991-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-06-29 US disclosed
EP-4180090-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-05-17 EP disclosed
CN-115836058-A Benzisoxazole derivatives 住友制药株式会社 2023-03-21 CN disclosed
US-11535599-B2 Benzisoxazole derivative Sumitomo Pharma Co., Ltd. (JP) 2022-12-27 US disclosed
WO-2022009863-A1 BENZISOXAZOLE DERIVATIVE 大日本住友製薬株式会社 2022-01-13 WO disclosed
US-5786374-A FUNGICIDES, MICROBIOCIDES NOVARTIS CORPORATION (US) 1998-07-28 US disclosed
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO 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-11535599-B2 Benzisoxazole derivative HDAC3, GABRA5, HDAC2 SORD 1704/4885ESR1 1775/4885ESR2 2259/4885
US-20230202991-A1 BENZISOXAZOLE DERIVATIVE HDAC3, GABRA5, HDAC2 SORD 1704/4885ESR1 1775/4885ESR2 2259/4885

“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.