SCHEMBL1596041

SCHEMBL1596041

COC(=O)[C@@H](N)Cc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 1/20 0.56
▸ HPGD P15428 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ RECQL P46063 1/20 0.49
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ AR P10275 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL14338181 1.00 PTPRB (0.56) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1596038 0.99 PTPRB (0.55) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1596040 0.99 PTPRB (0.55) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL25095078 0.89 HPGD (0.57) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7744800 0.87 HPGD (0.56) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL1595806 0.85 SLC7A5 (0.56) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL1595807 0.85 SLC7A5 (0.56) PTPRBHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL7902861 0.81 ALDH1A1 (0.49) PTPRBALDH1A1
SCHEMBL31369739 0.81 SLC7A5 (0.51) HPGDALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL12727039 0.81 PTPRB (0.55) PTPRBHPGDALDH1A1SMN1; SMN2LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 — — US disclosed
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 — — US disclosed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 — — US disclosed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 — — US disclosed
EP-1874745-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS Adamed SP. Z O.O. (PL) 2008-01-09 — — EP disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 — — US disclosed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 — — US disclosed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 — — US disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 — — US disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 — — US disclosed
US-20070161799-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z O.O. (PL) 2007-07-12 — — US disclosed
US-20070161799-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z O.O. (PL) 2007-07-12 — — US disclosed
US-7220766-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-05-22 — — US disclosed
US-7220766-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-05-22 — — US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 — — US disclosed
WO-2006077206-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA REZEPTOR LIGANDEN ADAMED SP. Z O.O. (PL) 2006-07-27 — — WO disclosed
WO-2006077217-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2006-07-27 — — WO disclosed
US-20060160870-A1 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 — — US disclosed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 — — US disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 — — 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 (5 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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG PTPRB 1454/4885HPGD 924/4885ALDH1A1 957/4885
US-20070161799-A1 3-Phenylpropionic acid derivatives PAOX, PPARA, PPARG PTPRB 1374/4885HPGD 384/4885ALDH1A1 714/4885
US-20060160870-A1 3-phenylpropionic acid derivatives PPARA, PPARG, PPARD PTPRB 1493/4885HPGD 787/4885ALDH1A1 846/4885
US-20060160868-A1 3-Phenylpropionic acid derivatives PPARA, PPARG, PPARD PTPRB 1484/4885HPGD 619/4885ALDH1A1 844/4885
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES PPARA, PPARD, PPARG PTPRB 1547/4885HPGD 1010/4885ALDH1A1 912/4885

“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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