Sugi Predict

Sugi Predict / Compounds / SCHEMBL2748097

SCHEMBL2748097

SCHEMBL2748097

CS(=O)(=O)OC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KCNN4 O15554 3/20 0.36
▸ PPARA Q07869 2/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ MMP2 P08253 4/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ PKLR P30613 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL18555414 1.00 ALDH1A1 (0.38) ALDH1A1MAPTNPSR1KCNN4PPARA
SCHEMBL25216948 0.89 MDM4 (0.39) ALDH1A1KCNN4
SCHEMBL25273148 0.89 MDM4 (0.39) ALDH1A1KCNN4
SCHEMBL225196 0.82 CA12 (0.44) ALDH1A1MAPTNPSR1KCNN4PPARA
SCHEMBL7656116 0.78 MTNR1A (0.45) NPSR1PPARAPPARGCYP2D6
SCHEMBL7656123 0.78 MTNR1A (0.45) NPSR1PPARAPPARGCYP2D6
SCHEMBL8526965 0.78 ITGB1 (0.41) ALDH1A1MAPTNPSR1ITGAVPPARG
SCHEMBL2742288 0.77 KCNN4 (0.46) ALDH1A1NPSR1KCNN4
SCHEMBL30854482 0.76 NR1H2 (0.44) NPSR1KCNN4PPARAPPARGMMP2
SCHEMBL1899106 0.75 NPSR1 (0.45) NPSR1KCNN4PKLR

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
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
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 — — WO disclosed
EP-2155775-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Mpex Pharmaceuticals, Inc. (US) 2010-02-24 — — EP disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 — — US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 — — 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 (2 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 ALDH1A1 4062/4885MAPT 4007/4885NPSR1 3524/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 4062/4885MAPT 4007/4885NPSR1 3524/4885

“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.