Sugi Predict

Sugi Predict / Compounds / SCHEMBL346415

SCHEMBL346415

SCHEMBL346415

O=C(O)C1CCc2cc(F)c(O)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD5 P21918 2/20 0.38
▸ CYP19A1 P11511 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TBXAS1 P24557 2/20 0.34
▸ SELL P14151 1/20 0.33

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
SCHEMBL10439397 0.88 MAPT (0.53) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL346652 0.82 DRD2 (0.39) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL5889376 0.79 CYP1A2 (0.49) ALDH1A1KDM4EDRD5CYP1A2
SCHEMBL5889377 0.79 CYP1A2 (0.49) ALDH1A1KDM4EDRD5CYP1A2
SCHEMBL5889344 0.79 CYP1A2 (0.49) ALDH1A1KDM4EDRD5CYP1A2
SCHEMBL346280 0.79 CYP1A2 (0.49) ALDH1A1KDM4EDRD5CYP1A2
SCHEMBL10556304 0.77 HSD17B1 (0.42) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL13419450 0.77 TSHR (0.44) DRD5
SCHEMBL29456780 0.77 TSHR (0.44) DRD5
SCHEMBL24440190 0.75 HDAC8 (0.42) ALDH1A1CYP1A2CYP4F2CYP4A11

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 MAPT 2161/4885NFKB1 576/4885THPO 1624/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MAPT 1377/4885NFKB1 977/4885THPO 970/4885

“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.