SCHEMBL3329219

SCHEMBL3329219

CC(=O)c1cc(Br)ccc1NC(=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ PTPN1 P18031 3/20 0.49
▸ PTPRC P08575 1/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ PTPRA P18433 1/20 0.49
▸ PTPRB P23467 1/20 0.49
▸ PTPRE P23469 1/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 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
SCHEMBL796957 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AGAAALOX15
SCHEMBL2002662 0.79 GPR35 (0.59) ALDH1A1GPR35MEN1KMT2AGAA
SCHEMBL28530907 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL14339913 0.78 POLB (0.56) ALDH1A1PTPN1PTPRCPTPN2PTPRA
SCHEMBL111313 0.76 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL7847232 0.76 ACLY (0.59) ALDH1A1PTPN1PTPRCPTPN2PTPRA
SCHEMBL29050678 0.75 AKR1C3 (0.59) ALDH1A1MEN1KMT2AGAAALOX15
SCHEMBL30567364 0.75 AKR1C3 (0.59) ALDH1A1MEN1KMT2AGAAALOX15
SCHEMBL14397793 0.75 CYP2C19 (0.58) ALDH1A1PTPN1PTPRCPTPN2PTPRA
SCHEMBL12575809 0.75 CYP1A2 (0.56) ALDH1A1MEN1KMT2AGAACYP1A2

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-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 — — US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 — — EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 — — 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 (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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ALDH1A1 2326/4885PTPN1 2102/4885PTPRC 2297/4885

“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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