SCHEMBL345897

SCHEMBL345897

CC1(C(=O)NO)CCc2ccc(Oc3ccc(Cl)cc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.49
MMP13 P45452 16/20 0.49
MMP9 P14780 10/20 0.49
ADAM17 P78536 7/20 0.49
MMP2 P08253 5/20 0.46
MMP3 P08254 5/20 0.46
MMP8 P22894 5/20 0.46
MMP14 P50281 5/20 0.46
MMP7 P09237 3/20 0.46
ABCB11 O95342 1/20 0.43
MMP10 P09238 1/20 0.43
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL345064 0.87 SMN1; SMN2 (0.42) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL346119 0.86 RXRA (0.42) MMP1MMP13MMP9ADAM17PDE4A
SCHEMBL346945 0.84 ADRA2A (0.48) MMP1MMP13MMP9HDAC1HDAC6
SCHEMBL461033 0.80 PIP4K2A (0.40) MMP1MMP13MMP9MMP2MMP3
SCHEMBL10198246 0.78 P2RX3 (0.35) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL462671 0.71 PDE4A (0.39) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL346235 0.70 SMN1; SMN2 (0.56)
SCHEMBL8768170 0.69 ADRA2A (0.48)
SCHEMBL26406699 0.68 SMN1; SMN2 (0.39) MMP1MMP13
SCHEMBL10197653 0.68 ADRB3 (0.46) MMP1MMP9MMP2MMP3MMP8

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 7 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
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 MMP1 137/4885MMP13 299/4885MMP9 339/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MMP1 317/4885MMP13 670/4885MMP9 1068/4885

“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.