SCHEMBL9899536

SCHEMBL9899536

C=Cc1cccc([C@@H](C)N)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
ADRB1 P08588 1/20 0.39
MIF P14174 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 2/20 0.36
HIF1A Q16665 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL7024381 1.00 TP53 (0.50) TP53TDP1PTGS2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9899333 0.98 TP53 (0.48) TP53TDP1PTGS2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27945426 0.98 TP53 (0.48) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL593657 0.83 TP53 (0.54) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL911023 0.83 TP53 (0.54) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL32671494 0.83 TP53 (0.54) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL1645654 0.82 TP53 (0.52) TP53TDP1PTGS2ALDH1A1TSHR
Methane SCHEMBL11026004 0.82 TP53 (0.52) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL16956344 0.82 TP53 (0.52) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL14635005 0.82 TP53 (0.52) TP53TDP1PTGS2ALDH1A1TSHR

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 48 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
CN-104662033-B Macrocyclic Inhibitors of Flaviviridae Viruses 吉利德科学公司 2018-10-23 CN 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
EP-2859009-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 US disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US 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 (6 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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS TP53 3215/4885TDP1 3668/4885PTGS2 3966/4885
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS TP53 3215/4885TDP1 3668/4885PTGS2 3966/4885
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS TP53 3215/4885TDP1 3668/4885PTGS2 3966/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS TP53 3215/4885TDP1 3668/4885PTGS2 3966/4885
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 TP53 3396/4885TDP1 3605/4885PTGS2 3953/4885
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 TP53 3396/4885TDP1 3605/4885PTGS2 3953/4885

“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.