Sugi Predict

Sugi Predict / Compounds / SCHEMBL5018237

SCHEMBL5018237

SCHEMBL5018237

CC(C)Oc1ccc(NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.42
▸ MMP3 P08254 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GLA P06280 1/20 0.38

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
SCHEMBL5018582 0.91 FURIN (0.40) LTA4HMMP3LMNAMEN1KMT2A
SCHEMBL5025846 0.91 FURIN (0.40) LTA4HMMP3LMNAMEN1KMT2A
SCHEMBL5018621 0.91 LTA4H (0.42) LTA4HMMP3GAALMNAKMT2A
SCHEMBL5018174 0.90 METAP2 (0.49) LTA4HGAALMNAKMT2AMAPT
SCHEMBL5018322 0.89 ALPL (0.44) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL5019102 0.88 RAB9A (0.46) MMP3LMNAMEN1KMT2ATP53
SCHEMBL5018499 0.88 LNPEP (0.41) MMP2RAB9AMMP1MMP12MMP13
SCHEMBL5018149 0.88 PLAU (0.48) LTA4HMMP3ALDH1A1MMP2METAP2
SCHEMBL5018496 0.88 LTA4H (0.46) LTA4HLMNAKMT2AMAPTMETAP2
SCHEMBL5018389 0.88 S1PR1 (0.51) LTA4HLMNAKMT2AMAPTMETAP2

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 LTA4H 3098/4885MMP3 1583/4885GAA 67/4885

“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.