SCHEMBL16837892

SCHEMBL16837892

COC(=O)C1(C(C)O)CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL28176535 0.85 NPSR1 (0.36) NPSR1KMT2AMEN1CYP3A4CYP4F2
SCHEMBL11375499 0.82 NPSR1 (0.44) NPSR1KMT2AMEN1CYP3A4CYP4F2
SCHEMBL18828016 0.76 LMNA (0.37) NPSR1LMNA
SCHEMBL16837891 0.76 LMNA (0.37) NPSR1LMNA
SCHEMBL2055535 0.71 POLB (0.40) NPSR1KMT2AMEN1CYP3A4POLB
SCHEMBL971735 0.71 NPSR1 (0.39) NPSR1KMT2AMEN1CYP3A4POLB
SCHEMBL16104372 0.71 NPSR1 (0.41) NPSR1KMT2AMEN1CYP3A4CYP4F2
SCHEMBL5515078 0.70 NPSR1 (0.47) NPSR1KMT2AMEN1CYP3A4CYP4F2
SCHEMBL15537624 0.69 MEN1 (0.33) NPSR1KMT2AMEN1LMNA
SCHEMBL5515153 0.69 NPSR1 (0.40) NPSR1KMT2AMEN1CYP3A4CYP4F2

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 12 patents. 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
EP-2861601-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2018-02-07 EP disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-9642889-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2017-05-09 US disclosed
US-9642889-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2017-05-09 US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 US disclosed
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-17 US disclosed
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-17 US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 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 (4 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 NPSR1 4794/4885KMT2A 3798/4885MEN1 3498/4885
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS NPSR1 4794/4885KMT2A 3798/4885MEN1 3498/4885
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS NPSR1 4794/4885KMT2A 3798/4885MEN1 3498/4885
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS NPSR1 4794/4885KMT2A 3798/4885MEN1 3498/4885

“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.