SCHEMBL2304871

SCHEMBL2304871

[CH2]c1ccc(-c2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
KCNH2 Q12809 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CYP2C9 P11712 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46

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
SCHEMBL338810 0.87 LTA4H (0.70) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL7455134 0.85 LTA4H (0.67) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL1464252 0.82
SCHEMBL8340210 0.80 LTA4H (0.68) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL2463288 0.80 KCNH2 (0.50) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL27709556 0.79 CYP3A4 (0.60) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL29363583 0.78 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL7058736 0.78 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL12408419 0.78 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL14190036 0.78 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US claimed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP claimed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US claimed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 WO claimed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1647545-A1 Antiviral protease inhibitors MEDIVIR AB (SE) 2006-04-19 EP claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
EP-1005493-B1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-11-02 EP claimed
EP-1021186-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2005-06-29 EP claimed
EP-1005493-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2000-06-07 EP claimed
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US claimed
CN-1231611-A Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' CV THERAPEUTIC INC (US) 1999-10-13 CN claimed
WO-1999026923-A1 PARA-AMINOMETHYLARYL CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-06-03 WO claimed
WO-1998045330-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 1998-10-15 WO claimed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO claimed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 WO claimed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP claimed
EP-0795555-A1 ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-09-17 EP claimed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO claimed

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-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A LTA4H 98/4885KCNH2 3688/4885CYP17A1 478/4885
US-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 LTA4H 1727/4885KCNH2 2276/4885CYP17A1 3332/4885

“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.