Sugi Predict

Sugi Predict / Compounds / SCHEMBL1174458

SCHEMBL1174458

SCHEMBL1174458

O=C(NO)c1cc2c(s1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.66
▸ HDAC1 Q13547 4/20 0.54
▸ HDAC3 O15379 3/20 0.54
▸ HDAC2 Q92769 3/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ PRMT5 O14744 2/20 0.49
▸ WDR77 Q9BQA1 2/20 0.49
▸ NAMPT P43490 1/20 0.46
▸ EPHX2 P34913 2/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TRPV4 Q9HBA0 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
SCHEMBL1173811 0.92 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1174276 0.90 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1173803 0.82 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1173781 0.82 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL12868970 0.81 TDP1 (0.56) HDAC6HDAC1PRMT5WDR77KDM4E
SCHEMBL1264443 0.80 HDAC6 (1.00) HDAC6HDAC1HDAC8NAMPTAKR1C3
SCHEMBL1175221 0.77 PRMT5 (0.52) HDAC6HDAC1HDAC11PRMT5WDR77
SCHEMBL12868604 0.77 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1173801 0.77 PRMT5 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL720084 0.76 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885HDAC3 4/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885HDAC3 4/4885

“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.