Sugi Predict

Sugi Predict / Compounds / SCHEMBL2409062

SCHEMBL2409062

SCHEMBL2409062

COc1ccc(C(=O)N[C@@H](c2ccc(C(=O)NO)cc2)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.62
▸ CA2 P00918 2/20 0.62
▸ ALDH1A1 P00352 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ ANPEP P15144 1/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ SLC6A9 P48067 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.45

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
SCHEMBL20919751 0.89 ALDH1A1 (0.64) CA1CA2ALDH1A1GAAANPEP
SCHEMBL2408485 0.88 CA1 (0.64) CA1CA2ALDH1A1GAAANPEP
SCHEMBL12279565 0.80 CA1 (0.70) CA1CA2ALDH1A1GAACYP3A4
SCHEMBL2442820 0.80 HPGDS (0.54) CA1ALDH1A1ANPEPCYP3A4HDAC1
SCHEMBL2408678 0.80 HPGDS (0.54) CA1ALDH1A1ANPEPCYP3A4HDAC1
SCHEMBL2412953 0.79 HDAC6 (0.49) CA1CA2ANPEPHDAC1HDAC6
SCHEMBL942259 0.79 CA1 (1.00) CA1CA2ALDH1A1GAACYP3A4
SCHEMBL2407392 0.78 HDAC1 (0.69) CA1CA2ALDH1A1GAAANPEP
SCHEMBL2408226 0.78 HDAC1 (0.69) CA1CA2ALDH1A1GAAANPEP
Hydrochloric Acid SCHEMBL8880498 0.77 CA1 (0.96) CA1CA2ALDH1A1GAACYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 CA1 310/4885CA2 308/4885ALDH1A1 1696/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 CA1 310/4885CA2 308/4885ALDH1A1 1696/4885

“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.