Phenylbutanoic Acid

Phenylbutanoic Acid

SCHEMBL5657068

NC(=O)c1cc2ccccc2cc1O.O=C(O)CCCc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
MAPK1 P28482 1/20 0.58
ADRA1A P35348 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 2/20 0.56
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50

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
Phenylbutanoic Acid SCHEMBL5657539 0.81 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL550901 0.80 MAPT (0.63) MAPTTDP1KMT2AMEN1MITF
SCHEMBL29374999 0.80 MAPT (0.63) MAPTTDP1KMT2AMEN1MITF
SCHEMBL13593311 0.79 PLG (0.67) MAPK1CYP1A2MAPTTDP1KMT2A
Phenylbutanoic Acid SCHEMBL5657063 0.78 CYP1A1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30098564 0.77 MAPT (0.59) MAPTTDP1KMT2AMEN1MITF
SCHEMBL9127062 0.77 MAPT (0.59) MAPTTDP1KMT2AMEN1MITF
Phenylbutanoic Acid SCHEMBL1716 0.76 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Phenylbutanoic Acid SCHEMBL21219015 0.76 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Phenylbutanoic Acid SCHEMBL1021513 0.76 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO disclosed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 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-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 HDAC1 1680/4885HDAC3 2064/4885HDAC4 2483/4885

“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.