SCHEMBL5018420

SCHEMBL5018420

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.37
ACP1 P24666 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN13 Q12923 1/20 0.37
SSU72 Q9NP77 1/20 0.37
CALCRL Q16602 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
HTR1E P28566 1/20 0.36
HTT P42858 1/20 0.36
S1PR3 Q99500 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
PNLIP P16233 1/20 0.36
MMP7 P09237 1/20 0.36
CTNNB1 P35222 3/20 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
SCHEMBL5018479 0.93 ROCK2 (0.38) CALCRLEPHX2S1PR1ROCK2
SCHEMBL5018450 0.92 S1PR1 (0.43) CALCRLMAPTS1PR3EPHX2MMP7
SCHEMBL5018151 0.90 LMNA (0.47) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5018344 0.88 MEN1 (0.39) CALCRLMEN1KMT2ALMNAMAPT
SCHEMBL5018305 0.87 FPR2 (0.44) CALCRLMEN1KMT2AALDH1A1HTT
SCHEMBL5018534 0.87 FPR2 (0.46) LMNAMAPTHTTCTNNB1S1PR1
SCHEMBL5018354 0.86 CASR (0.44) CALCRLMAPTALDH1A1HTTCTNNB1
SCHEMBL5018382 0.85 UBE2M (0.37) MEN1KMT2AEPHX2
SCHEMBL5018538 0.85 KMT2A (0.47) ACP1PTPN12PTPN13SSU72MEN1
SCHEMBL5018552 0.83 S1PR1 (0.42) CALCRLMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 S1PR2 3880/4885ACP1 3085/4885PTPN12 2483/4885

“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.