SCHEMBL7867299

SCHEMBL7867299

CCCCS(=O)(=O)N1CCc2cc(C(=O)OC)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.48
TP53 P04637 1/20 0.47
ACACB O00763 1/20 0.45
HDAC6 Q9UBN7 3/20 0.43
NAMPT P43490 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
AKR1C3 P42330 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL1263763 0.86 HDAC6 (0.56) MAPTTSHRHDAC1HDAC6GAA
SCHEMBL3184605 0.82 ESR1 (0.62) MAPTTSHRTP53ACACBHDAC6
SCHEMBL1264107 0.79 HDAC6 (0.58) MAPTTSHRHDAC1HDAC6HDAC8
SCHEMBL17786059 0.79 OPRK1 (0.60) MAPTTSHRHDAC6AKR1C3
SCHEMBL6974218 0.78 MAPT (0.52) MAPTTSHRHDAC1ESR1ESR2
SCHEMBL720406 0.78 HDAC1 (0.42) MAPTTSHRHDAC1NAMPTALDH1A1
SCHEMBL7868653 0.77 ESR2 (0.64) MAPTHDAC6ESR2AKR1C3ALDH1A1
SCHEMBL17786051 0.76 AKR1C3 (0.56) HDAC6AKR1C3
SCHEMBL20178679 0.75 ACACB (0.59) MAPTTSHRTP53ACACBHDAC6
SCHEMBL17786052 0.75 OPRK1 (0.56) MAPTACACBHDAC6AKR1C3ALDH1A1

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 10 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 disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US 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-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-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
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2010151318-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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 MAPT 2212/4885TSHR 3485/4885HDAC1 3/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 MAPT 2212/4885TSHR 3485/4885HDAC1 3/4885

“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.