SCHEMBL20886808

SCHEMBL20886808

Cc1ncc2cc(C(C)C(=O)OCc3ccccc3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NMT1 P30419 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
SCHEMBL27366043 0.79 AKR1C3 (0.49) PTGS1ALDH1A1TDP1
SCHEMBL6792877 0.76 ALDH1A1 (0.58) PGRADORA3PTGS1SLC6A2KMT2A
SCHEMBL6792870 0.76 ALDH1A1 (0.58) PGRADORA3PTGS1SLC6A2KMT2A
SCHEMBL9284611 0.74 PTGS2 (0.63) PTGS1TDP1MAPT
SCHEMBL4007604 0.73 ALDH1A1 (0.58) PGRADORA3PTGS1SLC6A2KMT2A
SCHEMBL306179 0.73 POLB (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28169191 0.73 AKR1B10 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5182481 0.72 LMNA (0.56) PGRADORA3PTGS1SLC6A2KMT2A
SCHEMBL9234482 0.72 LMNA (0.56) PGRADORA3PTGS1SLC6A2KMT2A
SCHEMBL25831982 0.72 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 — — US disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 — — 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-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 PSEN1 3895/4885PSEN2 4407/4885APH1B 1593/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 PSEN1 3895/4885PSEN2 4407/4885APH1B 1593/4885

“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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