Sugi Predict

Sugi Predict / Compounds / SCHEMBL2406641

SCHEMBL2406641

SCHEMBL2406641

C[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(C(=O)NO)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ PHGDH O43175 10/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ROCK2 O75116 1/20 0.41
▸ GPR139 Q6DWJ6 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL6917942 1.00 ALDH1A1 (0.46) ALDH1A1PHGDHHDAC6ROCK2GPR139
SCHEMBL2408429 0.87 PHGDH (0.55) PHGDHMEN1KMT2ACYP1A2CYP2C9
SCHEMBL16297618 0.85 ALDH1A1 (0.46) ALDH1A1ROCK2GPR139MEN1KMT2A
SCHEMBL2406877 0.81 PHGDH (0.67) ALDH1A1PHGDHMEN1KMT2A
SCHEMBL2410179 0.81 PHGDH (0.67) ALDH1A1PHGDHMEN1KMT2A
SCHEMBL2407985 0.81 PHGDH (0.67) ALDH1A1PHGDHMEN1KMT2A
SCHEMBL2407349 0.80 ALDH1A1 (0.52) ALDH1A1HDAC6ROCK2GPR139MEN1
SCHEMBL2409323 0.80 HDAC6 (0.49) ALDH1A1PHGDHHDAC6ROCK2CA2
SCHEMBL2409368 0.80 HDAC6 (0.49) ALDH1A1PHGDHHDAC6ROCK2CA2
SCHEMBL2410222 0.78 HDAC1 (0.55) PHGDHHDAC6

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 9 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 disclosed
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-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
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US 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 ALDH1A1 1696/4885PHGDH 2119/4885HDAC6 1/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885PHGDH 2119/4885HDAC6 1/4885

“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.