SCHEMBL21932876

SCHEMBL21932876

COC(=O)c1cc(F)cc(C(F)F)c1CBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 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
SCHEMBL22821220 0.85 NOTUM (0.37) SLC6A3SOS1ALDH1A1HTTKDM4E
SCHEMBL29363398 0.85 NOTUM (0.37) SLC6A3SOS1ALDH1A1HTTKDM4E
SCHEMBL29089695 0.83 KDM4E (0.33) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL29089692 0.83 ALDH1A1 (0.39) ALDH1A1HTTKDM4ETSHRHSD17B10
SCHEMBL18878157 0.81 CES2 (0.39) SLC6A4SLC6A3SOS1ALDH1A1KDM4E
SCHEMBL30296812 0.80 SOS1 (0.41) SLC6A4SLC6A3SOS1ALDH1A1KDM4E
SCHEMBL3410570 0.80 SOS1 (0.41) SLC6A4SLC6A3SOS1ALDH1A1KDM4E
SCHEMBL14719178 0.80 KDM4E (0.37) SLC6A4SLC6A3SOS1ALDH1A1HTT
SCHEMBL21001493 0.79 GAA (0.39) SLC6A4SLC6A3SOS1ALDH1A1HTT
SCHEMBL20766650 0.79 KDM4E (0.42) SLC6A4SLC6A3SOS1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352338-B2 Substituted isoindolinones BIOTHERYX, INC. (US) 2022-06-07 — — US disclosed
EP-3880669-A1 SUBSTITUTED ISOINDOLINONES Biotheryx, Inc. (US) 2021-09-22 — — EP disclosed
CN-113423701-A Substituted isoindolinones 拜欧斯瑞克斯公司 2021-09-21 — — CN disclosed
US-10844039-B2 Substituted isoindolinones BIOTHERYX, INC. (US) 2020-11-24 — — US disclosed
US-20200325114-A1 SUBSTITUTED ISOINDOLINONES BIOTHERYX, INC. (US) 2020-10-15 — — US disclosed
WO-2020102195-A1 SUBSTITUTED ISOINDOLINONES BIOTHERYX, INC. (US) 2020-05-22 — — WO disclosed
US-20200148663-A1 SUBSTITUTED ISOINDOLINONES BIOTHERYX, INC. 2020-05-14 — — 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 (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-20200148663-A1 SUBSTITUTED ISOINDOLINONES BRCA1, FANCI, GOT2 SLC6A4 3792/4885SLC6A3 4208/4885SOS1 3907/4885
US-10844039-B2 Substituted isoindolinones BRCA1, FANCI, GOT2 SLC6A4 3792/4885SLC6A3 4208/4885SOS1 3907/4885
US-20200325114-A1 SUBSTITUTED ISOINDOLINONES BRCA1, FANCI, GOT2 SLC6A4 3792/4885SLC6A3 4208/4885SOS1 3907/4885
US-11352338-B2 Substituted isoindolinones BRCA1, FANCI, GOT2 SLC6A4 3792/4885SLC6A3 4208/4885SOS1 3907/4885

“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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