SCHEMBL20710314

SCHEMBL20710314

C[C@H](NC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.53
▸ PPARG P37231 3/20 0.53
▸ FABP2 P12104 1/20 0.53
▸ SLC22A12 Q96S37 1/20 0.53
▸ CNR1 P21554 14/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ACHE P22303 1/20 0.48

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
SCHEMBL31738604 1.00 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20703801 1.00 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20710316 0.87 PPARA (0.48) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20703789 0.87 PPARA (0.48) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20710315 0.84 PPARA (0.50) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL23266755 0.83 PPARA (0.47) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10972962 0.83 PPARA (0.64) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL13984036 0.83 PPARA (0.64) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL23266758 0.82 PPARA (0.46) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10968550 0.80 PPARA (0.60) PPARAPPARGFABP2SLC22A12CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485102-B2 Methods and compositions for treating cancer THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2025-12-02 — — US disclosed
US-20210113613-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2021-04-22 — — US disclosed
WO-2019028096-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2019-02-07 — — 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 (2 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-12485102-B2 Methods and compositions for treating cancer PPARG, FFAR1, PPARA PPARA 3/4885PPARG 1/4885FABP2 13/4885
US-20210113613-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER PPARG, FFAR1, PPARA PPARA 3/4885PPARG 1/4885FABP2 13/4885

“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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