SCHEMBL7795097

SCHEMBL7795097

COC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACKR3 P25106 1/20 0.41
ADORA1 P30542 2/20 0.41
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
AEBP2 Q6ZN18 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 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
SCHEMBL978284 0.91 HDAC6 (0.59) HDAC6ESR2NR1H2KDM4EHPGD
SCHEMBL27081538 0.91 HDAC6 (0.59) HDAC6ESR2NR1H2KDM4EHPGD
SCHEMBL8558763 0.91 ALDH1A1 (0.50) HDAC6ESR2NR1H2KDM4EHPGD
SCHEMBL12869096 0.84 HDAC6 (0.51) HDAC6ESR2NR1H2KDM4EHPGD
SCHEMBL27141410 0.83 HDAC6 (0.58) HDAC6ESR2NR1H2KDM4EMAPK1
SCHEMBL16396237 0.82 HDAC6 (0.50) HDAC6ESR2NR1H2KDM4EHPGD
SCHEMBL3309479 0.82 KDM4E (0.54) HDAC6KDM4EHPGDNPC1RAB9A
SCHEMBL743782 0.82 HDAC6 (0.54) HDAC6ESR2NR1H2KDM4EMAPK1
SCHEMBL976244 0.82 ADORA1 (0.55) HDAC6ESR2NR1H2KDM4EMAPK1
SCHEMBL3003179 0.82 ESR2 (0.49) HDAC6ESR2NR1H2KDM4ENPC1

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 3 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-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 1/4885ESR2 3352/4885NR1H2 539/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885ESR2 3352/4885NR1H2 539/4885

“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.