SCHEMBL17878604

SCHEMBL17878604

CCCCOP(=O)(OCCCC)C(F)(F)C(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
LPAR3 Q9UBY5 6/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR2 Q9HBW0 3/20 0.38
TSHR P16473 1/20 0.34
CES2 O00748 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL17878611 0.90 MEN1 (0.33) MEN1KMT2AGAA
SCHEMBL17860871 0.82 CYP3A4 (0.48) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL17878603 0.81 CYP3A4 (0.44) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL17848877 0.81 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL17878608 0.81 LPAR3 (0.47) CYP3A4LPAR3LPAR1LPAR2CES2
SCHEMBL24593983 0.79 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11050434 0.74 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL17860873 0.71 LMNA (0.33) CYP3A4LPAR3LPAR1LPAR2CES2
SCHEMBL17878615 0.70 MEN1 (0.34) MEN1KMT2A
SCHEMBL4609562 0.69 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2TSHR

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-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 CYP3A4 3756/4885LPAR3 2783/4885LPAR1 3457/4885

“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.