SCHEMBL16617651

SCHEMBL16617651

CCOC(=O)C(C)(O)c1ccc(Cl)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ABCB11 O95342 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PPARA Q07869 1/20 0.40
CNR2 P34972 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
STING1 Q86WV6 1/20 0.36
DGAT1 O75907 1/20 0.35
PIN1 Q13526 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL20719394 0.86 MEN1 (0.36) CNR2GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL20719250 0.84 TSHR (0.37) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL16617001 0.80 ABCB11 (0.35) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL20719128 0.79 ALDH1A1 (0.38) CYP1A2ABCB11CYP3A4PMP22CNR2
SCHEMBL3508448 0.76 CD274 (0.37) GAAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9538404 0.75 MEN1 (0.41) GAAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL20719216 0.74 TNF (0.37) CYP1A2CYP3A4TSHRSTING1DGAT1
SCHEMBL20719376 0.74 GAA (0.33) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL20719426 0.74 MAPT (0.35) DGAT1GAAMAPTALDH1A1TDP1
SCHEMBL20719424 0.74 MAPT (0.35) DGAT1GAAMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055300-B1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER (US) 2018-03-07 EP disclosed
EP-3055300-B1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER (US) 2018-03-07 EP disclosed
EP-3055300-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR Pfizer Inc. (US) 2016-08-17 EP disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
WO-2015052610-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-16 WO disclosed
WO-2015052610-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-16 WO disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 US disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 US disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 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 (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-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PTGER3, PTGES3, PTGER2 CYP1A2 1597/4885ABCB11 3854/4885CYP3A4 2131/4885

“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.