SCHEMBL5236558

SCHEMBL5236558

COc1cc(I)cc(OC)c1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
GRM6 O15303 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CISD2 Q8N5K1 1/20 0.35
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F11 P03951 1/20 0.35
STING1 Q86WV6 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
SCHEMBL5623315 0.79 CYP2C9 (0.37) MTNR1AMTNR1BGRM6KDM4ECYP2C9
SCHEMBL22091991 0.78 GABRG2 (0.42) MTNR1AMTNR1BGABRG2GABRB3GABRA5
SCHEMBL5208618 0.77 USP2 (0.38) MTNR1AMTNR1BGRM6KDM4ECYP2C9
SCHEMBL5232483 0.75 HPGD (0.49) CYP3A4SMN1; SMN2ALDH1A1GAA
SCHEMBL5209995 0.75 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2GAA
SCHEMBL5208678 0.75 CA12 (0.57) KDM4ECYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL29097074 0.75 CYP3A4 (0.63) KDM4ECYP2C19CYP3A4USP2MAPK1
SCHEMBL28289300 0.75 CA12 (0.49) MTNR1AMTNR1BGRM6KDM4ENPSR1
SCHEMBL21591091 0.73 CYP3A4 (0.41) MTNR1AMTNR1BCYP3A4USP2MAPK1
SCHEMBL8954278 0.73 GRM6 (0.39) MTNR1AMTNR1BGRM6KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 US 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH MTNR1A 1265/4885MTNR1B 1488/4885GRM6 3470/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 MTNR1A 524/4885MTNR1B 502/4885GRM6 3009/4885

“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.