SCHEMBL10170971

SCHEMBL10170971

O=C(O)c1ccc(Br)cc1Oc1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 2/20 0.45
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
PYGL P06737 3/20 0.40
POLB P06746 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
ACLY P53396 1/20 0.38
LDHA P00338 1/20 0.38
PYGM P11217 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL47045 0.90 AKR1C3 (0.47) KDM4EGLAPYGLPOLBAKR1C3
SCHEMBL489914 0.85 SLC6A4 (0.47) KDM4EGLAPOLBAKR1C3CYP3A4
SCHEMBL12726139 0.84 SORT1 (0.46) KDM4EGLAPOLBAKR1C3AKR1C2
SCHEMBL21327649 0.84 KDM4E (0.54) KDM4EPOLBAKR1C3AKR1C2MCL1
SCHEMBL490103 0.84 MAPT (0.50) KDM4EGLAPOLBAKR1C3AKR1C2
SCHEMBL2371063 0.83 KDM4E (0.48) MAP3K8KDM4EGLAPYGLPOLB
SCHEMBL19474926 0.83 NCEH1 (0.46) KDM4EGLAPYGLPOLBAKR1C3
SCHEMBL26936314 0.81 KDM4E (0.56) KDM4EGLAPYGLPOLBAKR1C3
SCHEMBL20281786 0.79 KDM4E (0.51) KDM4EGLAPYGLPOLBAKR1C3
SCHEMBL12682946 0.79 MAP3K8 (0.40) MAP3K8KDM4EPOLBCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC MAP3K8 2852/4885KDM4E 4230/4885GLA 3744/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 MAP3K8 2887/4885KDM4E 3819/4885GLA 3890/4885

“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.