SCHEMBL9899041

SCHEMBL9899041

C[C@@H](O)c1ccc2cnc(Cl)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.50
CYP2D6 P10635 4/20 0.40
CYP3A4 P08684 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 1/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
AKT1 P31749 1/20 0.37
GRM4 Q14833 1/20 0.36
ABL1 P00519 1/20 0.35
CDK8 P49336 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
P-Cymene SCHEMBL14635152 0.87 UGT2B7 (0.43) UGT2B7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL24378858 0.86 CYP3A4 (0.39) UGT2B7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL15448418 0.83 ADRB2 (0.42) UGT2B7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL19090004 0.82 ABCB11 (0.50) UGT2B7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL30134016 0.81 UGT2B7 (0.52) UGT2B7CYP2D6PLGPLAUABL1
SCHEMBL15447514 0.79 CYP3A4 (0.37) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL19479730 0.79 AKT1 (0.35) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL10090610 0.79 CYP2D6 (0.45) UGT2B7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL9905543 0.77 UGT2B7 (0.47) UGT2B7PLGPLAUAKT1ABL1
SCHEMBL15447928 0.77 UGT2B7 (0.47) UGT2B7CYP2D6PLGPLAUAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-11-12 US disclosed
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
EP-2861601-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2018-02-07 EP disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
EP-2859009-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
WO-2013185090-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-12 WO disclosed
EP-2649076-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2013-10-16 EP disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 WO disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 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 (3 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-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS UGT2B7 74/4885CYP2D6 166/4885CYP3A4 27/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS UGT2B7 74/4885CYP2D6 166/4885CYP3A4 27/4885
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 UGT2B7 74/4885CYP2D6 140/4885CYP3A4 24/4885

“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.