Sugi Predict

Sugi Predict / Compounds / SCHEMBL5018417

SCHEMBL5018417

SCHEMBL5018417

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LNPEP Q9UIQ6 4/20 0.36
▸ ERAP2 Q6P179 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP7 P09237 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ SLC1A5 Q15758 1/20 0.35
▸ S1PR3 Q99500 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL5018207 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LNPEPERAP2KMT2A
SCHEMBL5019100 0.86 S1PR1 (0.44) S1PR1SLC1A5LTA4H
SCHEMBL5018318 0.83 S1PR1 (0.46) ALDH1A1S1PR1MAPTLTA4H
SCHEMBL5018373 0.80 MAPT (0.46) ALDH1A1LNPEPERAP2KMT2ASLC1A5
SCHEMBL5018552 0.80 S1PR1 (0.42) KMT2AS1PR1POLBHTTMAPT
SCHEMBL5018175 0.80 LNPEP (0.40) LNPEPERAP2PDK1PDK2PDK3
SCHEMBL5018499 0.80 LNPEP (0.41) LNPEPERAP2EPHX2RAB9AERAP1
SCHEMBL5018358 0.79 CHRM1 (0.39) ALDH1A1SMN1; SMN2LNPEPERAP2KMT2A
SCHEMBL5018560 0.79 NPC1 (0.36) LNPEPERAP2KMT2APOLBNPC1
SCHEMBL5018321 0.79 LNPEP (0.41) LNPEPERAP2MAPTERAP1

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 ALDH1A1 4062/4885SMN1; SMN2 4857/4885LNPEP 541/4885

“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.