SCHEMBL12923668

SCHEMBL12923668

CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)Cc2ccc(C(=O)NO)cc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.67
▸ HDAC1 Q13547 3/20 0.50
▸ TRPV4 Q9HBA0 7/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MMP8 P22894 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL17745512 0.91 HDAC6 (0.54) HDAC6HDAC1TRPV4HDAC3HDAC2
SCHEMBL1264443 0.80 HDAC6 (1.00) HDAC6HDAC1TRPV4HDAC8MAPT
SCHEMBL1263828 0.78 KAT6A (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1263656 0.75 HDAC1 (0.41) HDAC6HDAC1HDAC8MAPT
SCHEMBL1264260 0.75 HDAC6 (0.66) HDAC6HDAC1TRPV4HDAC3HDAC8
SCHEMBL1264250 0.74 HDAC6 (0.81) HDAC6HDAC1TRPV4HDAC3HDAC2
SCHEMBL1264586 0.72 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1263768 0.72 HDAC6 (0.80) HDAC6HDAC3HDAC8HDAC11MAPT
SCHEMBL720084 0.71 HDAC6 (0.71) HDAC6HDAC1TRPV4HDAC3HDAC2
SCHEMBL1264026 0.70 HDAC6 (0.71) HDAC6HDAC1TRPV4HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 — — EP claimed
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 — — EP disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885TRPV4 3776/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885TRPV4 3776/4885

“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.

Send feedback