SCHEMBL3050407

SCHEMBL3050407

CC(=C(NC(=O)OCc1ccccc1)C(=O)O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
MGLL Q99685 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3050406 1.00 MRGPRX4 (0.43) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4448442 0.76 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4448435 0.76 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4448438 0.76 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3050403 0.74 MEN1 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4390326 0.73 POLB (0.47) ALDH1A1KDM4ECYP3A4KMT2ANPC1
SCHEMBL5893116 0.73 RAB9A (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5421265 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MGLL
SCHEMBL1742020 0.71 KMT2A (0.53) ALDH1A1TSHRKMT2ASMN1; SMN2NPC1
SCHEMBL7493533 0.71 MAPT (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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 (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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC MRGPRX4 3901/4885ALDH1A1 4817/4885KDM4E 1486/4885

“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.