SCHEMBL29102676

SCHEMBL29102676

O=C(O)CCSc1cccnc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ CDC25B P30305 2/20 0.47
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ PRNP P04156 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ FGB P02675 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL21855932 0.83 BRD4 (0.42) ALDH1A1HSD17B10HPGDKDM4EKMT2A
SCHEMBL29515337 0.75 ALDH1A1 (0.45) ALDH1A1CDC25BHSD17B10HPGDKMT2A
SCHEMBL24188895 0.75 ALDH1A1 (0.45) ALDH1A1CDC25BHSD17B10HPGDKMT2A
SCHEMBL30427691 0.74 KDM4E (0.42) ALDH1A1HSD17B10KDM4EMAPTHTT
SCHEMBL30427679 0.72 HDAC3 (0.42) ALDH1A1HSD17B10KDM4EKMT2AMAPT
Trifluoromethylbenzene SCHEMBL9765749 0.71 POLB (0.45) ALDH1A1CDC25BHSD17B10KMT2APRNP
SCHEMBL31505160 0.70 KDM4E (0.57) ALDH1A1CDC25BHSD17B10HPGDKDM4E
SCHEMBL5143206 0.69 ALDH1A1 (0.49) ALDH1A1CDC25BHSD17B10HPGDKMT2A
SCHEMBL21189320 0.69 CYP1A2 (0.68) ALDH1A1HSD17B10HPGDMAPTPOLB
SCHEMBL29514990 0.69 ALDH1A1 (0.49) ALDH1A1CDC25BHSD17B10HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143079-A Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2023-12-01 — — CN disclosed
CN-111138412-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2023-09-15 — — CN disclosed
US-20230002355-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2023-01-05 — — US disclosed
EP-4056563-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2022-09-14 — — 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 (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-20230002355-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN7 ALDH1A1 2367/4885CDC25B 205/4885HSD17B10 1698/4885

“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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