SCHEMBL2407615

SCHEMBL2407615

C[C@@H](NC(=O)c1cc2ccccc2o1)c1cc(C(=O)O)on1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
LMNA P02545 1/20 0.66
THRB P10828 1/20 0.66
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.57
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 5/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HSD17B10 Q99714 1/20 0.48
GALK1 P51570 1/20 0.48

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
SCHEMBL2407158 1.00 ALDH1A1 (0.66) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL2408463 0.90 ALDH1A1 (0.61) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL2408460 0.90 ALDH1A1 (0.61) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL12272257 0.85 ALDH1A1 (0.56) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL19387376 0.77 ALDH1A1 (0.76) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL28275043 0.76 ALDH1A1 (1.00) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL28275041 0.76 ALDH1A1 (1.00) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL2407805 0.72 RAB9A (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29460209 0.72 FLT3 (0.74) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL155789 0.72 FLT3 (0.74) ALDH1A1NPC1RAB9AMEN1KMT2A

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
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-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 ALDH1A1 1495/4885LMNA 1986/4885THRB 505/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 ALDH1A1 1495/4885LMNA 1986/4885THRB 505/4885

“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.