SCHEMBL192980

SCHEMBL192980

N[C@@H](CCOc1ccc(NC(=O)CCCCCCC(=O)NO)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.64
HDAC1 Q13547 10/20 0.57
HDAC2 Q92769 9/20 0.57
HDAC6 Q9UBN7 9/20 0.57
HDAC3 O15379 8/20 0.57
HDAC11 Q96DB2 7/20 0.57
HDAC8 Q9BY41 7/20 0.57
HDAC4 P56524 6/20 0.57
HDAC7 Q8WUI4 6/20 0.57
HDAC9 Q9UKV0 6/20 0.57
HDAC5 Q9UQL6 6/20 0.57
HDAC10 Q969S8 6/20 0.57
NCOR2 Q9Y618 2/20 0.53
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
NCOR1 O75376 1/20 0.53
NR1I2 O75469 1/20 0.53
EGFR P00533 1/20 0.53
CYP3A4 P08684 1/20 0.53
NR0B1 P51843 1/20 0.53

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
SCHEMBL192981 1.00 LTA4H (0.64) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL12463949 0.88 HDAC1 (0.62) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL192410 0.86 HDAC1 (0.54) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL192409 0.86 HDAC1 (0.54) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL191992 0.82 HDAC1 (0.48) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL191993 0.82 HDAC1 (0.48) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL29180030 0.78 HDAC1 (0.68) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL8984803 0.76 LTA4H (0.71) LTA4H
SCHEMBL12463933 0.76 LTA4H (0.62) LTA4HHDAC1HDAC2HDAC6HDAC3
SCHEMBL31635263 0.76 HDAC1 (0.83) LTA4HHDAC1HDAC2HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (1 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 LTA4H 2416/4885HDAC1 1/4885HDAC2 6/4885

“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.