SCHEMBL1038020

SCHEMBL1038020

CCC(C)OC(=O)C(C(=O)O)c1ccnc2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.46
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1038019 0.80 GAA (0.45) IDO1MEN1GAAHPGDKMT2A
SCHEMBL2259312 0.75 KMT2A (0.36) MEN1KMT2A
SCHEMBL2492162 0.74 OGA (0.40) MEN1GAAHPGDKMT2AALDH1A1
SCHEMBL3149167 0.72 MET (0.42)
SCHEMBL21138127 0.70 CCNC (0.45) IDO1SLC22A12AAK1
SCHEMBL2498299 0.69 AKR1C3 (0.40) KMT2A
SCHEMBL12985302 0.69 MAPT (0.38)
SCHEMBL10322728 0.69 MAPT (0.38) KMT2AALDH1A1
SCHEMBL4074821 0.69 MAPT (0.39)
SCHEMBL20935446 0.69 IDO1 (0.41) IDO1CYP2C9CYP2C19SLC22A12

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-8012961-B2 Tricyclic antibiotics ACTELION PHARMACEUTICAL LTD. (CH) 2011-09-06 US disclosed
US-20110039836-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US disclosed
EP-2276766-A1 TRICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-01-26 EP disclosed
WO-2009128019-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2009-10-22 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 (1 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-20110039836-A1 TRICYCLIC ANTIBIOTICS OPRM1, UBE2D3, METTL3 IDO1 450/4885MEN1 1111/4885GAA 2909/4885

“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.