SCHEMBL4950587

SCHEMBL4950587

CS(=O)(=O)O[C@H](CCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)c(C(N)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.46
RORC P51449 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4949867 0.72 GSTO1 (0.49) XIAPKMT2AMEN1CYP1A2CYP2C9
SCHEMBL4950164 0.72 LNPEP (0.37) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6171187 0.69 PPARG (0.52) PPARG
SCHEMBL6171190 0.69 PPARG (0.52) PPARG
SCHEMBL1246354 0.67 ALDH1A1 (0.58) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL31423856 0.67 ADORA2B (0.74) KMT2AMEN1NPSR1KDM4EADORA2A
SCHEMBL4224537 0.65 SMN1; SMN2 (0.49) KMT2AMEN1PPARGSMN1; SMN2MAPT
SCHEMBL4950607 0.64 HDAC6 (0.68) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL956697 0.64 CDC7 (0.61) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL4740819 0.64 CDC7 (0.85) CYP1A2CYP2C19NPSR1KDM4ESMN1; SMN2

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 XIAP 760/4885RORC 2327/4885KMT2A 2401/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 XIAP 1184/4885RORC 3572/4885KMT2A 3168/4885

“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.