SCHEMBL14154450

SCHEMBL14154450

CCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.51
▸ HPGD P15428 9/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPK13 O15264 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ AKR1C3 P42330 1/20 0.47
▸ SLC6A7 Q99884 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL10331954 0.89 HPGD (0.61) HPGDHRH3ALDH1A1KDM4EHTT
SCHEMBL10331961 0.89 ALDH1A1 (0.57) HPGDALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL10332064 0.84 MKNK1 (0.65) PHGDHHPGDMKNK1MKNK2ALDH1A1
SCHEMBL10332010 0.84 ALDH1A1 (0.45) HPGDALDH1A1HTTLMNASLC6A7
SCHEMBL12529439 0.83 HPGD (0.51) PHGDHHPGDMKNK1MKNK2ALDH1A1
SCHEMBL10331351 0.81 HSP90AA1 (0.51) PHGDHHPGDMKNK1MKNK2HRH3
SCHEMBL10331953 0.79 GRIN2B (0.46) HPGDALDH1A1HTTSLC6A7HSP90AA1
SCHEMBL17809708 0.79 HPGD (0.60) PHGDHHPGDHRH3ALDH1A1MAPT
SCHEMBL12722423 0.77 HPGD (0.77) HPGDHRH3ALDH1A1MAPTKDM4E
SCHEMBL309271 0.77 HPGD (0.64) PHGDHHPGDHRH3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 — — 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 (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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 PHGDH 1057/4885HPGD 644/4885MKNK1 78/4885

“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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