SCHEMBL5019033

SCHEMBL5019033

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nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.48
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC7A5 Q01650 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 1/20 0.37
LTA4H P09960 1/20 0.36
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
CA14 Q9ULX7 1/20 0.32
GFPT1 Q06210 1/20 0.32

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
SCHEMBL4114625 1.00 SLC1A1 (0.48) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
SCHEMBL9782083 1.00 SLC1A1 (0.48) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
Hydrochloric Acid SCHEMBL4082393 0.98 SLC1A1 (0.46) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
SCHEMBL16238395 0.85 SMN1; SMN2 (0.40) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
SCHEMBL12069779 0.85 SMN1; SMN2 (0.40) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
SCHEMBL2498988 0.85 SMN1; SMN2 (0.40) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
SCHEMBL2498989 0.85 SMN1; SMN2 (0.40) SLC1A1SLC1A3SLC1A2SLC7A5SMN1; SMN2
Hydrochloric Acid SCHEMBL10858237 0.83 SMN1; SMN2 (0.39) SLC1A1SLC1A3SLC1A2SMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL16238696 0.83 SMN1; SMN2 (0.39) SLC1A1SLC1A3SLC1A2SMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL16238384 0.83 SMN1; SMN2 (0.39) SLC1A1SLC1A3SLC1A2SMN1; SMN2LTA4H

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 SLC1A1 1681/4885SLC1A3 2094/4885SLC1A2 2354/4885

“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.