SCHEMBL4950164

SCHEMBL4950164

CS(=O)(=O)O[C@H](CCc1ccccc1)C(=O)Nc1cc2ccccc2nc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.37
ERAP2 Q6P179 1/20 0.37
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
ACP1 P24666 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL4950587 0.72 XIAP (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4951752 0.72 SMN1; SMN2 (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6171190 0.70 PPARG (0.52) TSHR
SCHEMBL6171187 0.70 PPARG (0.52) TSHR
SCHEMBL4949518 0.69 ALDH1A1 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL4950170 0.67 ACP1 (0.59) SCN9ANPC1NFKB1RAB9ANFKB2
SCHEMBL4224537 0.66 SMN1; SMN2 (0.49) L3MBTL1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4945845 0.65 HTT (0.40) NPC1SMN1; SMN2TRPV1
SCHEMBL4950166 0.64 ACP1 (0.55) SCN9ANPC1NFKB1RAB9ANFKB2
SCHEMBL28189349 0.62 SRR (0.51) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 US 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 LNPEP 2592/4885ERAP2 281/4885SCN9A 3393/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 LNPEP 1577/4885ERAP2 263/4885SCN9A 2492/4885

“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.