SCHEMBL17282980

SCHEMBL17282980

CCOC(=O)CCC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
CTSK P43235 4/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CYP2D6 P10635 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL1695111 0.88 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15243760 0.88 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL10146890 0.88 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL14923714 0.82 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL18681164 0.81 L3MBTL1 (0.41) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL19104593 0.81 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL14357345 0.80 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15663302 0.80 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL7803484 0.80 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL25166100 0.80 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 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 (3 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-10351595-B2 MRPL21, PRSS1, PEPD CYP1A2 4529/4885CYP2C9 4647/4885CYP2C19 4597/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC CYP1A2 4095/4885CYP2C9 4062/4885CYP2C19 3721/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CYP1A2 4095/4885CYP2C9 4062/4885CYP2C19 3721/4885

“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.