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SCHEMBL987151

SCHEMBL987151

CN(Cc1ccc(OCC(=O)OC(C)(C)C)c(Br)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ PTPN1 P18031 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KEAP1 Q14145 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
SCHEMBL2770509 0.88 MAPT (0.41) PTPN1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL988616 0.82 PTGDR2 (0.43) MAPTALDH1A1KMT2AMEN1MAOA
SCHEMBL12948707 0.81 ALDH1A1 (0.39) PTPN1MAPTALDH1A1KMT2AMAOA
SCHEMBL989912 0.81 CYP19A1 (0.46) PKMMAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL2772080 0.80 MAOA (0.35) MAPTALDH1A1KMT2AMAOAMAOB
SCHEMBL988942 0.79 PTGDR2 (0.42) PTPN1MAPTALDH1A1MAOAMAOB
SCHEMBL4576504 0.78 PKM (0.64) PKMMAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL990363 0.78 KEAP1 (0.54) MAPTMAOAMAOBCASP3GAA
SCHEMBL988587 0.74 NPC1 (0.46) PKMMAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL6507783 0.73 KMT2A (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 — — US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 — — US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 — — US disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 — — WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 — — WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 — — WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 — — 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-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS HSD17B12, CYP2A13, CYP27A1 PKM 3977/4885PTPN1 3204/4885MAPT 4135/4885

“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.