Sugi Predict

Sugi Predict / Compounds / SCHEMBL345064

SCHEMBL345064

SCHEMBL345064

COC(=O)C1(C)CCc2ccc(Oc3ccc(Cl)cc3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MMP1 P03956 6/20 0.40
▸ MMP13 P45452 6/20 0.40
▸ MMP9 P14780 5/20 0.40
▸ ADAM17 P78536 4/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ ADRB3 P13945 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ PPARG P37231 1/20 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
SCHEMBL346119 0.88 RXRA (0.42) MMP1MMP13MMP9ADAM17PDE4A
SCHEMBL345897 0.87 MMP1 (0.49) MMP1MMP13MMP9ADAM17PDE4A
SCHEMBL346235 0.84 SMN1; SMN2 (0.56) SMN1; SMN2
SCHEMBL345524 0.80 SOD1 (0.48) SMN1; SMN2
SCHEMBL26406699 0.80 SMN1; SMN2 (0.39) SMN1; SMN2MMP1MMP13PPARGPPARA
SCHEMBL10198246 0.75 P2RX3 (0.35) MMP1MMP13MMP9ADAM17PDE4A
SCHEMBL26404937 0.74 MTNR1A (0.38) SMN1; SMN2MMP1MMP13ADAM17PDE4B
SCHEMBL8768170 0.72 ADRA2A (0.48) SMN1; SMN2PPARA
SCHEMBL20584777 0.72 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL30834270 0.72 SMN1; SMN2 (0.39) SMN1; SMN2

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
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 SMN1; SMN2 567/4885MMP1 137/4885MMP13 299/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 SMN1; SMN2 1515/4885MMP1 317/4885MMP13 670/4885

“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.