SCHEMBL3137556

SCHEMBL3137556

Oc1cc(Cl)c(Cl)cc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ APP P05067 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ CBR1 P16152 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ GRIN2B Q13224 1/20 0.36
▸ PGK1 P00558 1/20 0.36
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL365755 0.79 APP (0.48) TSHRHSD17B10HPGDAPPHSP90AA1
SCHEMBL26607116 0.76 PGK1 (0.42) TSHRHSD17B10HPGDAPPHSP90AA1
SCHEMBL31346130 0.76 PGK1 (0.39) TSHRHSD17B10HPGDAPPHSP90AA1
SCHEMBL26607321 0.76 PGK1 (0.39) TSHRHSD17B10HPGDAPPHSP90AA1
SCHEMBL19914321 0.76 HPGD (0.39) TSHRHSD17B10HPGDAPPHSP90AA1
SCHEMBL8462165 0.76 EPHX2 (0.41) GRIN2BPGK1KMONOTUM
SCHEMBL9367285 0.75 HSD17B10 (0.46) TSHRHSD17B10HPGDHSP90AA1LMNA
SCHEMBL8074938 0.74 GAA (0.42) HSD17B10HSP90AA1MAPTGRIN2BPGK1
SCHEMBL19914318 0.72 ALDH1A1 (0.40) HSD17B10HPGDAPPGRIN2BPGK1
SCHEMBL17744226 0.72 PGK1 (0.39) APPPGK1KMONOTUMCGAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565430-B1 BIGUANIDE DERIVATIVES JACOBUS PHARMA CO INC (US) 2010-02-17 — — EP disclosed
US-7563792-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2009-07-21 — — US disclosed
US-20080176852-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. 2008-07-24 — — US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 — — US disclosed
EP-1565430-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL CO. INC. (US) 2005-08-24 — — EP disclosed
US-20040116428-A1 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. 2004-06-17 — — US disclosed
WO-2004048320-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2004-06-10 — — 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-20080176852-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES QDPR, DHODH, GLMN TSHR 1710/4885HSD17B10 2509/4885HPGD 679/4885

“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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