SCHEMBL14988815

SCHEMBL14988815

CC(=O)Oc1ccccc1OC(=O)C(N)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ HMGB1 P09429 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GGT1 P19440 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ METAP1 P53582 1/20 0.44
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ XIAP P98170 1/20 0.42

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
SCHEMBL14988934 0.83 KDM4E (0.49) PTGS2ALDH1A1PTGS1KDM4ETSHR
SCHEMBL27525238 0.80 METAP2 (0.52) PTGS1TDP1METAP2METAP1ALPI
SCHEMBL27525237 0.80 METAP2 (0.52) PTGS1TDP1METAP2METAP1ALPI
SCHEMBL276649 0.79 LTA4H (0.53) TSHRHPGDMETAP2METAP1ANPEP
SCHEMBL1841055 0.79 LTA4H (0.53) TSHRHPGDMETAP2METAP1ANPEP
SCHEMBL5019109 0.79 LTA4H (0.53) TSHRHPGDMETAP2METAP1ANPEP
Hydrochloric Acid SCHEMBL4634588 0.77 LTA4H (0.52) TSHRHPGDMETAP2METAP1ANPEP
SCHEMBL2635410 0.77 SMN1; SMN2 (0.55) TDP1METAP2METAP1ANPEPERAP1
SCHEMBL3712742 0.77 SMN1; SMN2 (0.55) TDP1METAP2METAP1ANPEPERAP1
Hydrochloric Acid SCHEMBL17713350 0.77 LTA4H (0.52) TSHRHPGDMETAP2METAP1ANPEP

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-20180085333-A1 4-PHENYLBUTYRIC ACID DERIVATIVES TRUOG PETER (CH) 2018-03-29 — — US disclosed
US-20180085333-A1 4-PHENYLBUTYRIC ACID DERIVATIVES TRUOG PETER (CH) 2018-03-29 — — US disclosed
WO-2016165770-A1 4-PHENYLBUTYRIC ACID DERIVATIVES TRUOG PETER (CH) 2016-10-20 — — WO disclosed
EP-2599767-A1 Phenylbutyl-derivatives Lunamed AG (CH) 2013-06-05 — — EP disclosed
EP-2599767-A1 Phenylbutyl-derivatives Lunamed AG (CH) 2013-06-05 — — EP 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-20180085333-A1 4-PHENYLBUTYRIC ACID DERIVATIVES HTR2B, PAH, HTR1B PTGS2 166/4885ALDH1A1 434/4885PTGS1 79/4885

“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.

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