SCHEMBL3263058

SCHEMBL3263058

CC1(C)OB(c2ccc3c(=O)nc[nH]c3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
CSF1R P07333 1/20 0.38
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
EGFR P00533 2/20 0.34
GSK3A P49840 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
SCHEMBL3225882 0.89 PRMT5 (0.40) PRMT5WDR77CSF1RLPLLIPG
SCHEMBL29525463 0.80 MMP12 (0.45) LPLLIPGEGFR
SCHEMBL874992 0.80 MMP12 (0.45) LPLLIPGEGFR
SCHEMBL30016751 0.78 PARP1 (0.54) PRMT5WDR77LPLLIPGCA9
SCHEMBL393560 0.78 PARP1 (0.54) PRMT5WDR77LPLLIPGCA9
SCHEMBL2379179 0.77 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL8212169 0.75 PARP1 (0.54) CA9CA12EGFR
SCHEMBL16431925 0.74 EGFR (0.40) CSF1REGFR
SCHEMBL19896283 0.74 LPL (0.46) PRMT5WDR77CSF1RLPLLIPG
SCHEMBL11000 0.74 ATM (0.41) PRMT5WDR77CSF1RLPLLIPG

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-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (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-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX PRMT5 958/4885WDR77 4106/4885CSF1R 867/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX PRMT5 959/4885WDR77 4115/4885CSF1R 916/4885

“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.