SCHEMBL21200490

SCHEMBL21200490

COC(=O)c1cc(Br)cc(I)c1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.39
▸ SOS1 Q07889 1/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 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
SCHEMBL30900389 1.00 SLC6A3 (0.39) SLC6A3SOS1NR4A2CFTRALDH1A1
SCHEMBL27183547 0.83 ABL1 (0.41) SLC6A3SOS1NR4A2CFTRALDH1A1
SCHEMBL21509656 0.82 NR4A2 (0.38) SLC6A3NR4A2ALDH1A1GAANOTUM
SCHEMBL21199520 0.81 NOTUM (0.40) SLC6A3SOS1NR4A2ALDH1A1GAA
SCHEMBL29744804 0.81 NOTUM (0.40) SLC6A3SOS1NR4A2ALDH1A1GAA
SCHEMBL23704924 0.81 KDM4E (0.44) NR4A2ALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL23090012 0.81 HPGD (0.41) SLC6A3NR4A2ALDH1A1GAANOTUM
SCHEMBL38663430 0.81 KDM4E (0.44) NR4A2ALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL31160530 0.81 HPGD (0.41) SLC6A3NR4A2ALDH1A1GAANOTUM
SCHEMBL18512307 0.80 HSD17B10 (0.49) SLC6A3SOS1NR4A2CFTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 — — CN disclosed
CN-116496246-A Isoindoline compound, preparation method, pharmaceutical composition and application 中国药科大学 2023-07-28 — — CN disclosed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 — — US disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 — — EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 — — 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 (1 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-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC SLC6A3 4490/4885SOS1 506/4885NR4A2 2786/4885

“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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