SCHEMBL4950596

SCHEMBL4950596

CS(=O)(=O)N[C@H](CCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
ELOVL1 Q9BW60 1/20 0.55
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
ROCK1 Q13464 2/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL4950607 0.85 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21241769 0.83 SCD (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21241840 0.83 SCD (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1245373 0.82 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21225987 0.81 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21225986 0.81 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL4949871 0.81 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL28522727 0.81 CTSS (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21241885 0.81 CTSS (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1244330 0.78 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7

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 HDAC6 262/4885HDAC1 352/4885HDAC3 812/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 HDAC6 509/4885HDAC1 685/4885HDAC3 985/4885

“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.