SCHEMBL2409121

SCHEMBL2409121

CC(NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)NO)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
NPY5R Q15761 3/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
PGR P06401 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F2 P00734 1/20 0.45
F7 P08709 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
TGM2 P21980 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL12271271 0.89 HSD17B10 (0.56) HDAC3HDAC4HDAC1SMN1; SMN2HSD17B10
SCHEMBL12271534 0.87 ANPEP (0.53) CYP2C9CYP2C19HDAC1SMN1; SMN2HPGD
SCHEMBL2405517 0.84 L3MBTL1 (0.51) MAPK1HDAC3HDAC4HDAC1SMN1; SMN2
SCHEMBL2411245 0.84 ALOX15 (0.46) MAPK1HDAC3HDAC4HDAC1SMN1; SMN2
SCHEMBL2405849 0.83 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HPGDALDH1A1
SCHEMBL12271399 0.83 RXFP1 (0.44) CYP2C9CYP2C19HDAC3HDAC4HDAC1
SCHEMBL2406688 0.82 RAB9A (0.47) MAPK1HDAC3HDAC4HDAC1SMN1; SMN2
SCHEMBL2410703 0.80 HDAC3 (0.50) MAPK1HDAC3HDAC4HDAC1SMN1; SMN2
SCHEMBL2404440 0.79 EPHX2 (0.49) HDAC3HTT
SCHEMBL2411633 0.79 F2 (0.59) MAPK1NPY5RCYP2C9CYP2C19HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110213003-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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 MAPK1 3162/4885NPY5R 284/4885CYP2C9 2081/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 MAPK1 3162/4885NPY5R 284/4885CYP2C9 2081/4885

“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.