Sugi Predict

Sugi Predict / Compounds / SCHEMBL2409476

SCHEMBL2409476

SCHEMBL2409476

CC(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(=O)NO)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMO Q99835 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ IL2 P60568 2/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ TMPRSS4 Q9NRS4 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL2406913 0.86 KDR (0.43) CA12CA1CA2CA9IDH1
SCHEMBL12319588 0.85 MAPK1 (0.41) MAPK1ALDH1A1GAAKDR
SCHEMBL12271397 0.85 MAPK1 (0.49) MAPK1MAPTALDH1A1LMNATP53
SCHEMBL2404440 0.82 EPHX2 (0.49) MAPTTRPV1
SCHEMBL12272268 0.82 SMN1; SMN2 (0.49) MAPK1MAPTLMNA
SCHEMBL2411765 0.82 TRPV1 (0.49) CA12CA1CA2CA9MAPK1
SCHEMBL2409353 0.81 SMN1; SMN2 (0.58) CA12CA1CA2CA9MAPK1
SCHEMBL2406864 0.80 KDR (0.56) CA1CA2CA9MAPTLMNA
SCHEMBL2405494 0.76 MAPK1 (0.49) MAPK1MAPTTP53GAA
SCHEMBL2404509 0.75 HDAC1 (0.42) MAPK1MAPTALDH1A1LMNANPSR1

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-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 — — US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 — — US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — WO disclosed
US-20110213003-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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 CA12 1157/4885CA1 322/4885CA2 249/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 CA12 1157/4885CA1 322/4885CA2 249/4885

“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.