SCHEMBL13466968

SCHEMBL13466968

C/C(=N\[S+]([O-])C(C)(C)C)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HDAC8 Q9BY41 1/20 0.34
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CACNA1B Q00975 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL11890636 1.00 CES2 (0.41) CES2CES1HDAC8CA3CA6
SCHEMBL29703334 1.00 CES2 (0.41) CES2CES1HDAC8CA3CA6
SCHEMBL23148359 1.00 CES2 (0.41) CES2CES1HDAC8CA3CA6
SCHEMBL23148360 1.00 CES2 (0.41) CES2CES1HDAC8CA3CA6
SCHEMBL17260305 0.88 CES2 (0.41) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL17260304 0.88 CES2 (0.41) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL13446 0.88 CES2 (0.41) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL15820810 0.88 CES2 (0.41) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL17260303 0.88 CES2 (0.41) CES2CES1ALDH1A1MAPTMEN1
SCHEMBL12350344 0.86 PDK2 (0.36) ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724191-B9 5-(2-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)-3-(1H-PYRAZOL-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS TRK KINASE INHIBITORS FOR TREATING CANCER PYRAMID BIOSCIENCES INC (US) 2022-05-18 EP disclosed
EP-3724191-B1 5-(2-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)-3-(1H-PYRAZOL-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS TRK KINASE INHIBITORS FOR TREATING CANCER PYRAMID BIOSCIENCES INC (US) 2022-01-26 EP disclosed
US-11230546-B2 5-(2,5-difluorophenyl)pyrrolidin-1-yl)-3-(1h-pyrazol-1-yl)pyrazolo[1,5-a]pyrimidine derivatives and related compounds as Trk kinase inhibitors for treating cancer PYRAMID BIOSCIENCES, INC (US) 2022-01-25 US disclosed
US-20210094956-A1 5-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)-3-(1H-PYRAZOL-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS TRK KINASE INHIBITORS FOR TREATING CANCER PYRAMID BIOSCIENCES, INC. 2021-04-01 US disclosed
EP-2697210-B1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 US disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 US disclosed
WO-2012139425-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS,COMPOSITIONS,AND THEIR USE SCHERING CORPORATION (US) 2012-10-18 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-11230546-B2 5-(2,5-difluorophenyl)pyrrolidin-1-yl)-3-(1h-pyrazol-1-yl)pyrazolo[1,5-a]pyrimidine derivatives and related compounds as Trk kinase inhibitors for treating cancer TPX2, FRK, PDXK CES2 4792/4885CES1 2993/4885HDAC8 1248/4885
US-20210094956-A1 5-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)-3-(1H-PYRAZOL-1-YL)PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS TRK KINASE INHIBITORS FOR TREATING CANCER TPX2, FRK, PDXK CES2 4792/4885CES1 2993/4885HDAC8 1248/4885
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, PSEN1 CES2 1776/4885CES1 1292/4885HDAC8 3305/4885

“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.