SCHEMBL2407820

SCHEMBL2407820

CCC[C@@H](NC(=O)c1sc2ccccc2c1C)c1ccc(C(=O)NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
GCGR P47871 2/20 0.44
PRNP P04156 2/20 0.44
HDAC1 Q13547 5/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
TACR3 P29371 1/20 0.40
UTS2R Q9UKP6 2/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2407524 0.83 HDAC1 (0.49) RXFP1ALDH1A1LMNAPRNPHDAC1
SCHEMBL2410921 0.81 HDAC1 (0.60) RXFP1ALDH1A1LMNANPSR1THRB
SCHEMBL2408630 0.77 HDAC1 (0.56) HDAC1HDAC6HDAC8
SCHEMBL2405227 0.77 FPR1 (0.46) RXFP1LMNAHDAC1HDAC6HDAC8
SCHEMBL2408717 0.76 NPC1 (0.63) UTS2R
SCHEMBL2407320 0.74 ALDH1A1 (0.47) RXFP1ALDH1A1LMNAPRNPHDAC1
SCHEMBL2408633 0.73 TAS1R3 (0.64) ALDH1A1HDAC1HDAC6HDAC8UTS2R
SCHEMBL2476909 0.73 TAS1R3 (0.64) ALDH1A1HDAC1HDAC6HDAC8UTS2R
SCHEMBL2410355 0.72 HDAC6 (0.56) ALDH1A1MAPTHDAC1HDAC6HDAC8
SCHEMBL445706 0.71 NPC1 (0.52) ALDH1A1MAPTHPGDHDAC1HDAC6

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
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 RXFP1 1258/4885ALDH1A1 1696/4885MAPT 2484/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 RXFP1 1258/4885ALDH1A1 1696/4885MAPT 2484/4885

“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.