SCHEMBL3857588

SCHEMBL3857588

CS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GBA1 P04062 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PIK3CA P42336 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
SCHEMBL10949551 0.79 ALOX15 (0.46) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL1424827 0.78 GBA1 (0.51) POLBALDH1A1HPGDALOX12GBA1
Hydrochloric Acid SCHEMBL10573659 0.77 ALOX15 (0.45) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL17371701 0.75 ALDH1A1 (0.42) POLBALDH1A1HPGDALOX12GBA1
SCHEMBL23329405 0.74 KDM4E (0.49) POLBALDH1A1HPGDALOX12KDM4E
SCHEMBL23684245 0.74 HTR2A (0.46) POLBALDH1A1HPGDALOX12GBA1
SCHEMBL12166934 0.73 TPMT (0.42) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL31368569 0.73 TPMT (0.42) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL2712937 0.72 PIK3CA (0.41) POLBALDH1A1HPGDALOX12GBA1
SCHEMBL3439357 0.69 KDM4E (0.51) POLBALDH1A1KDM4ELMNAHIF1A

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
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 — — US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — 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 (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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP POLB 1389/4885ALDH1A1 661/4885HPGD 2737/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 POLB 16/4885ALDH1A1 1523/4885HPGD 672/4885

“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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