SCHEMBL459332

SCHEMBL459332

CS(=O)(=O)Nc1cccc(Oc2ccc3c(c2)CC(F)(C(=O)NO)CC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
MMP13 P45452 5/20 0.38
MMP1 P03956 4/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MMP3 P08254 4/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP14 P50281 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRMT5 O14744 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.37
MAP2K1 Q02750 1/20 0.36
DRD2 P14416 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL461033 0.87 PIP4K2A (0.40) PIP4K2APIP4K2BPGRPOLBMMP13
SCHEMBL459415 0.73 FAAH (0.43) PIP4K2APIP4K2BPGRPOLBALDH1A1
SCHEMBL4204011 0.73 PGR (0.62) PIP4K2APIP4K2BPGRPOLBF2
SCHEMBL459960 0.71 FAAH (0.48) PIP4K2APIP4K2BPGRPOLB
SCHEMBL28178583 0.69 PGR (0.72) PIP4K2APIP4K2BPGRPOLBALDH1A1
SCHEMBL10416921 0.68 PGR (0.61) PGRPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL15474250 0.68 PGR (0.61) PIP4K2APIP4K2BPGRPOLBF2
SCHEMBL17235829 0.68 PGR (0.50) PIP4K2APIP4K2BPGRPOLBF2
SCHEMBL345897 0.66 MMP1 (0.49) MMP13MMP1MMP3MMP2MMP9
SCHEMBL15472296 0.65 PGR (0.56) PIP4K2APIP4K2BPGRPOLBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 PIP4K2A 2743/4885PIP4K2B 2588/4885PGR 4022/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 PIP4K2A 3342/4885PIP4K2B 3167/4885PGR 4209/4885

“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.