Sugi Predict

Sugi Predict / Compounds / SCHEMBL460332

SCHEMBL460332

SCHEMBL460332

CS(=O)(=O)Nc1cccc(-c2cc(F)c3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.45
▸ GRIA2 P42262 1/20 0.43
▸ TDP2 O95551 2/20 0.42
▸ CTSK P43235 2/20 0.41
▸ CTSC P53634 2/20 0.41
▸ HSD17B3 P37058 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ PIP5K1C O60331 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ BRD4 O60885 2/20 0.37

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
SCHEMBL459960 0.73 FAAH (0.48) —
SCHEMBL459415 0.73 FAAH (0.43) —
SCHEMBL460549 0.73 AAK1 (0.43) AAK1GRIA2HSD17B3PIK3CDPIK3CG
SCHEMBL438630 0.72 GRIA2 (0.53) AAK1GRIA2PIP5K1CPIK3CAPARP1
SCHEMBL10197667 0.72 GRIA2 (0.53) AAK1GRIA2PIP5K1CPIK3CAPARP1
SCHEMBL346350 0.71 MAPK1 (0.48) AAK1GRIA2PARP1KMT2A
SCHEMBL346515 0.70 DGAT1 (0.43) GRIA2PARP1
SCHEMBL461533 0.70 JAK1 (0.35) GRIA2
SCHEMBL346777 0.69 KDM4E (0.45) GRIA2PARP1MEN1KMT2A
SCHEMBL460073 0.69 HDAC1 (0.41) GRIA2PARP1

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 AAK1 4580/4885GRIA2 237/4885TDP2 2532/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 AAK1 4555/4885GRIA2 674/4885TDP2 1919/4885

“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.