SCHEMBL1934993

SCHEMBL1934993

CS(=O)(=O)Nc1cnccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.54
PTGS2 P35354 9/20 0.54
CYP19A1 P11511 3/20 0.53
NPC1 O15118 1/20 0.51
AR P10275 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC22A12 Q96S37 1/20 0.49
BRD4 O60885 1/20 0.45
IKBKB O14920 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44

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
SCHEMBL5203042 0.83 CYP19A1 (0.64) CYP19A1NPC1ARHPGDRAB9A
SCHEMBL12187984 0.78 PTGS1 (0.49) PTGS1PTGS2CYP19A1NPC1RAB9A
Acetic Acid SCHEMBL6140049 0.78 BRD4 (0.65) CYP19A1NPC1ARHPGDRAB9A
SCHEMBL30150617 0.77 ABCB1 (0.54) CYP19A1SMN1; SMN2IKBKB
SCHEMBL11114931 0.77 AR (0.63) CYP19A1NPC1ARHPGDRAB9A
SCHEMBL5146543 0.77 CYP19A1 (0.57) CYP19A1NPC1ARHPGDRAB9A
SCHEMBL6120121 0.76 PTGS1 (0.69) PTGS1PTGS2SLC22A12
SCHEMBL1936130 0.76 CYP19A1 (0.47) CYP19A1IKBKB
SCHEMBL8604964 0.76 CYP19A1 (0.53) CYP19A1NPC1ARHPGDRAB9A
SCHEMBL27557972 0.75 LMNA (0.53) IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 EP disclosed
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
US-9243002-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150361101-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2015-12-17 US disclosed
EP-2953456-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2015-12-16 EP disclosed
WO-2014121416-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014123793-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGS1 2020/4885PTGS2 2366/4885CYP19A1 2438/4885
US-20150361101-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 PTGS1 755/4885PTGS2 1205/4885CYP19A1 1489/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGS1 2020/4885PTGS2 2366/4885CYP19A1 2438/4885

“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.