Sugi Predict

Sugi Predict / Compounds / SCHEMBL354551

SCHEMBL354551

SCHEMBL354551

COC(=O)c1ccc2c(c1)CCC(c1ccc(OC)cc1)=C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.55
▸ CYP11B1 P15538 2/20 0.54
▸ CYP11B2 P19099 2/20 0.54
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CYP19A1 P11511 1/20 0.49
▸ MCHR1 Q99705 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ SLC6A3 Q01959 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL5694163 0.92 PTGS2 (0.62) PTGS2CYP11B1CYP11B2CA1CA2
SCHEMBL10247300 0.88 TDP1 (0.50) PTGS2CYP11B1CYP11B2CA1CA2
SCHEMBL19230570 0.83 CYP11B1 (0.45) PTGS2CYP11B1CYP11B2CA1CA2
SCHEMBL5694157 0.83 CA12 (0.50) PTGS2CYP11B1CYP11B2CA1CA2
SCHEMBL13486924 0.83 PTGS2 (0.64) PTGS2CYP11B1CYP11B2CYP19A1MCHR1
SCHEMBL5694173 0.83 PTGS2 (0.64) PTGS2CYP11B1CYP11B2CA1CA2
SCHEMBL9054140 0.81 PTGS2 (0.78) PTGS2CYP11B1CYP11B2CYP19A1MCHR1
SCHEMBL10254213 0.80 KMT2A (0.43) PTGS2CYP11B1CYP11B2CYP19A1KMT2A
SCHEMBL25107063 0.79 CA1 (0.44) CA1CA2KMT2AMAPTKDM4E
SCHEMBL10247077 0.77 SRD5A1 (0.46) CA1CA2KMT2AMAPTKDM4E

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 PTGS2 1263/4885CYP11B1 1412/4885CYP11B2 1346/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PTGS2 946/4885CYP11B1 789/4885CYP11B2 848/4885

“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.