SCHEMBL5089680

SCHEMBL5089680

O=C(NCCCO)c1cc2ccccc2o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.73
HDAC3 O15379 3/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC4 P56524 1/20 0.73
HDAC7 Q8WUI4 1/20 0.73
HDAC10 Q969S8 1/20 0.73
HDAC11 Q96DB2 1/20 0.73
HDAC8 Q9BY41 1/20 0.73
HDAC6 Q9UBN7 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73
HDAC5 Q9UQL6 1/20 0.73
ACKR3 P25106 1/20 0.67
OPRM1 P35372 1/20 0.67
OPRK1 P41145 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 2/20 0.65
ALDH1A1 P00352 1/20 0.65

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
SCHEMBL4518602 0.96 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7742536 0.86 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4522796 0.86 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL9212451 0.85 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL31235656 0.85 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7734745 0.83 HDAC1 (0.90) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2242298 0.82 SMN1; SMN2 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL31687530 0.81 SIGMAR1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8401808 0.80 TP53 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL416296 0.79 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC4HDAC7

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-7470794-B2 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors WYETH (US) 2008-12-30 US disclosed
US-20050085504-A1 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors WYETH (US) 2005-04-21 US disclosed
US-6825352-B2 ANTIARTHRITIC, ANTITUMOR, ANTIMETASTASIS, ANTIULCER, AND WOUND HEALING AGENTS; BONE, NERVOUS SYSTEM, DEGENERATIVE JOINT DISORDERS; PROTEINURIA, ANEURYSMS, HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTIONS WYETH 2004-11-30 US disclosed
US-20030035332-A1 The preparation and use of ortho-sulfonamido arylhydroxamic acids as matrix metalloproteinase inhibitors WYETH 2003-02-20 US disclosed
EP-1259488-A1 ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth (US) 2002-11-27 EP disclosed
US-20020169184-A1 PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-14 US disclosed
US-6465508-B1 NONPEPTIDE INHIBITORS OF GELATINASES, STROMELYSINS AND COLLA-GENASES; ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, HIV WYETH 2002-10-15 US disclosed
WO-2001062733-A1 ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2001-08-30 WO 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-20020169184-A1 PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP1, MMP7, MMP2 HDAC1 137/4885HDAC3 263/4885HDAC2 353/4885
US-20050085504-A1 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors MMP1, MMP7, MMP2 HDAC1 137/4885HDAC3 263/4885HDAC2 353/4885

“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.