SCHEMBL17540320

SCHEMBL17540320

CC(=O)OCOC(=O)c1cccc(NC(=O)C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 2/20 0.47

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
SCHEMBL17540324 0.91 ALDH1A1 (0.56) ALDH1A1MAPK1RAB9AHSD17B10ADRB2
SCHEMBL14254837 0.85 ALDH1A1 (0.67) ALDH1A1MAPK1RAB9AHSD17B10USP2
SCHEMBL18115572 0.82 RAB9A (0.65) ALDH1A1RAB9AHSD17B10SMN1; SMN2NPC1
SCHEMBL10137686 0.81 RAB9A (0.74) ALDH1A1MAPK1RAB9AHSD17B10USP2
SCHEMBL11313977 0.80 POLB (0.64) ALDH1A1RAB9AHSD17B10SMN1; SMN2TSHR
SCHEMBL16068453 0.78 RAB9A (0.75) ALDH1A1RAB9AHSD17B10ADRB2ADRB1
SCHEMBL13406087 0.75 ALDH1A1 (0.62) ALDH1A1RAB9AHSD17B10SMN1; SMN2TSHR
SCHEMBL7152680 0.75 ALDH1A1 (0.64) ALDH1A1MAPK1RAB9AHSD17B10USP2
SCHEMBL12545738 0.74 PARP1 (0.60) ALDH1A1RAB9AHSD17B10SMN1; SMN2TSHR
SCHEMBL30668647 0.74 PARP1 (0.60) ALDH1A1RAB9AHSD17B10SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349590-A1 MEROPENEM DERIVATIVES AND USES THEREOF OXFORD FINANCE LLC 2017-12-07 US disclosed
US-9725451-B2 Meropenem derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20160039823-A1 Meropenem Derivatives and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-02-11 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-20160039823-A1 Meropenem Derivatives and Uses Thereof SLCO1B1, SLCO2B1, ABCB11 ALDH1A1 2014/4885MAPK1 3396/4885RAB9A 585/4885
US-20170349590-A1 MEROPENEM DERIVATIVES AND USES THEREOF SLCO1B1, SLCO2B1, ABCB11 ALDH1A1 2014/4885MAPK1 3396/4885RAB9A 585/4885

“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.