Sugi Predict

Sugi Predict / Compounds / Valeric Acid

Valeric Acid

Valeric Acid

SCHEMBL7693075

CCCCC(=O)O.CCc1cc(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)n1C

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ MAPT P10636 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
Valeric Acid SCHEMBL7699886 0.85 ABCB11 (0.52) ABCB11PTGS2MAPTALDH1A1TDP1
Valeric Acid SCHEMBL7693252 0.84 ABCB11 (0.68) ABCB11PTGS2MAPTALDH1A1TDP1
SCHEMBL7678859 0.83 PTGS2 (0.69) ABCB11PTGS2MAPTALDH1A1TDP1
Valeric Acid SCHEMBL7693937 0.82 ABCB11 (0.49) ABCB11PTGS2MAPTALDH1A1TDP1
Valeric Acid SCHEMBL7692764 0.82 ABCB11 (0.49) ABCB11PTGS2MAPTALDH1A1TDP1
Octanoic Acid SCHEMBL7677009 0.78 ABCB11 (0.47) ABCB11PTGS2ALDH1A1TDP1SMN1; SMN2
SCHEMBL11818980 0.78 ABCB11 (0.54) ABCB11PTGS2MAPTALDH1A1TDP1
SCHEMBL7681018 0.77 LMNA (0.51) ABCB11PTGS2MAPTALDH1A1TDP1
Valeric Acid SCHEMBL7701347 0.77 ABCB11 (0.42) ABCB11PTGS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11813726 0.76 ALDH1A1 (0.50) ABCB11PTGS2MAPTALDH1A1TDP1

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
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 — — US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 — — US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 — — US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 — — 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A ABCB11 2317/4885PTGS2 887/4885MAPT 4570/4885

“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.