SCHEMBL14798077

SCHEMBL14798077

Nc1cc(C(CC(=O)O)C2CCC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.49
▸ SLC6A3 Q01959 5/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ FFAR2 O15552 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GABBR2 O75899 3/20 0.36
▸ GABBR1 Q9UBS5 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL22491762 0.94 FFAR1 (0.55) FFAR1SLC6A3SLC6A2SLC6A4FFAR2
SCHEMBL14797824 0.94 FFAR1 (0.55) FFAR1SLC6A3SLC6A2SLC6A4FFAR2
Hydrochloric Acid SCHEMBL22491792 0.93 FFAR1 (0.54) FFAR1SLC6A3SLC6A2SLC6A4FFAR2
Hydrochloric Acid SCHEMBL22491794 0.93 FFAR1 (0.54) FFAR1SLC6A3SLC6A2SLC6A4FFAR2
SCHEMBL29743257 0.82 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL13471811 0.82 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL23493508 0.81 FFAR1 (0.42) FFAR1SLC6A3SLC6A2SLC6A4FFAR2
SCHEMBL29573070 0.80 FFAR1 (0.46) FFAR1FFAR2
SCHEMBL23509596 0.79 FFAR1 (0.38) FFAR1SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL4249915 0.77 FFAR1 (0.60) FFAR1SLC6A3SLC6A2SLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 — — US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 — — US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 — — US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 — — US disclosed
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-04 — — US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-15 — — US disclosed
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-16 — — US disclosed
US-8796335-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 — — 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 (9 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-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-20140309307-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA FFAR1 210/4885SLC6A3 987/4885SLC6A2 1026/4885

“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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