SCHEMBL3437053

SCHEMBL3437053

CCCCC(Cc1ccccc1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.61
HDAC3 O15379 5/20 0.61
HDAC1 Q13547 4/20 0.61
HDAC6 Q9UBN7 4/20 0.61
HDAC2 Q92769 3/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MMP2 P08253 8/20 0.53
MMP3 P08254 8/20 0.53
MMP1 P03956 6/20 0.53
MMP7 P09237 6/20 0.53
BIRC2 Q13490 1/20 0.53
MMP8 P22894 1/20 0.52

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
SCHEMBL13103460 1.00 HDAC8 (0.61) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL5196301 0.86 HDAC3 (0.63) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL8728655 0.85 FOLH1 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC4
SCHEMBL2948787 0.85 FOLH1 (0.54) HDAC8HDAC3HDAC1HDAC2HDAC4
SCHEMBL13103425 0.83 CYP1A2 (0.60) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL7300579 0.83 FOLH1 (0.70) CA2
SCHEMBL5802690 0.83 FOLH1 (0.56) MMP2MMP3MMP1
SCHEMBL13103439 0.83 CYP1A2 (0.63) HDAC8HDAC3HDAC1HDAC6HDAC2
SCHEMBL27513375 0.82 FOLH1 (0.68) CA2
SCHEMBL8466382 0.82 MMP2 (0.67) HDAC8HDAC3HDAC1HDAC6MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566116-A Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same 基础科学研究院 2020-08-21 CN disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
WO-2008147480-A2 HYDROXAMIC ACID DERIVATIVES OF 3-PHENYL PROPIONIC ACIDS USEFUL AS THRAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC. (US) 2008-12-04 WO disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 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 (1 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-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning ANTXR2, PAOX, AGXT HDAC8 690/4885HDAC3 276/4885HDAC1 410/4885

“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.