SCHEMBL14645653

SCHEMBL14645653

Oc1cc(O)nc(SCc2ccc(F)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
MGAM O43451 2/20 0.55
GAA P10253 2/20 0.55
SI P14410 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CTSB P07858 1/20 0.48
MAPK1 P28482 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
DAO P14920 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43
KDM1A O60341 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL13067223 0.89 HTT (0.79) HTTMGAMGAASIMGAM2
SCHEMBL490098 0.81 RAB9A (0.62) HTTGAATDP1NPSR1ALDH1A1
SCHEMBL16920970 0.81 RAB9A (0.68) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16920960 0.81 HTT (0.51) HTTMGAMGAASIMGAM2
SCHEMBL13067250 0.80 ALDH1A1 (0.47) HTTGAAALDH1A1DAORAB9A
SCHEMBL4076997 0.79 CXCR2 (0.57) HTT
SCHEMBL26424632 0.79 RAB9A (0.70) HTTMGAMGAASIMGAM2
SCHEMBL14645731 0.79 HTT (0.65) HTTMGAMGAASIMGAM2
SCHEMBL97659 0.78 NPC1 (0.54) GAATDP1NPSR1ALDH1A1CTSB
SCHEMBL13067230 0.75 HTT (0.59) HTTGAANPSR1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255043-B1 N-(6-((2R,3S)-3,4-DIHYDROXYBUTAN-2-YLOXY)-2-(4-FLUOROBENZYLTHIO)PYRIMIDIN-4-YL)-3- METHYLAZETIDINE-1-SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2021-01-20 EP disclosed
EP-3255043-B1 N-(6-((2R,3S)-3,4-DIHYDROXYBUTAN-2-YLOXY)-2-(4-FLUOROBENZYLTHIO)PYRIMIDIN-4-YL)-3- METHYLAZETIDINE-1-SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2021-01-20 EP disclosed
US-10772886-B2 CXCR-2 inhibitors for treating crystal arthropathy disorders ARDEA BIOSCIENCES, INC. (US) 2020-09-15 US disclosed
US-20200281878-A1 CXCR-2 INHIBITORS FOR TREATING DISORDERS ARDEA BIOSCIENCES, INC. 2020-09-10 US disclosed
WO-2019055509-A1 CXCR-2 INHIBITORS FOR TREATING DISORDERS ARDEA BIOSCIENCES, INC. (US) 2019-03-21 WO disclosed
US-20180221312-A1 CXCR-2 INHIBITORS FOR TREATING DISORDERS ARDEA BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20180221312-A1 CXCR-2 INHIBITORS FOR TREATING DISORDERS ARDEA BIOSCIENCES, INC. 2018-08-09 US disclosed
US-9975881-B2 Compound ASTRAZENECA AB (SE) 2018-05-22 US disclosed
US-9975881-B2 Compound ASTRAZENECA AB (SE) 2018-05-22 US disclosed
US-9975881-B2 Compound ASTRAZENECA AB (SE) 2018-05-22 US disclosed
EP-2740458-A1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP Gesellschaft für Management mbH (DE) 2014-06-11 EP disclosed
US-8735413-B2 Compound ASTRAZENECA AB (SE) 2014-05-27 US disclosed
US-8735413-B2 Compound ASTRAZENECA AB (SE) 2014-05-27 US disclosed
US-8735413-B2 Compound ASTRAZENECA AB (SE) 2014-05-27 US disclosed
EP-2731945-A1 N- (6- ( (2R,3S) -3,4-DIHYDROXYBUTAN-2-YLOXY) -2- (4 - FLUOROBENZYLTHIO) PYRIMIDIN- 4 - YL) -3- METHYLAZETIDINE- 1 - SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR AstraZeneca AB (SE) 2014-05-21 EP disclosed
US-20130040926-A1 NOVEL COMPOUND ASTRAZENECA UK LIMITED 2013-02-14 US disclosed
US-20130040926-A1 NOVEL COMPOUND ASTRAZENECA UK LIMITED 2013-02-14 US disclosed
US-20130040926-A1 NOVEL COMPOUND ASTRAZENECA UK LIMITED 2013-02-14 US disclosed
WO-2013008002-A1 N- (6- ( (2R,3S) -3,4-DIHYDROXYBUTAN-2-YLOXY) -2- (4 - FLUOROBENZYLTHIO) PYRIMIDIN- 4 - YL) -3- METHYLAZETIDINE- 1 - SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2013-01-17 WO disclosed
WO-2013008002-A1 N- (6- ( (2R,3S) -3,4-DIHYDROXYBUTAN-2-YLOXY) -2- (4 - FLUOROBENZYLTHIO) PYRIMIDIN- 4 - YL) -3- METHYLAZETIDINE- 1 - SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2013-01-17 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 (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-20130040926-A1 NOVEL COMPOUND CXCR2, CXCR1, CCR5 HTT 3476/4885MGAM 3599/4885GAA 2059/4885
US-20180221312-A1 CXCR-2 INHIBITORS FOR TREATING DISORDERS CXCR1, CXCR2, CXCR6 HTT 2606/4885MGAM 2586/4885GAA 1497/4885
US-10772886-B2 CXCR-2 inhibitors for treating crystal arthropathy disorders CXCR1, CXCR2, CXCR6 HTT 1445/4885MGAM 3639/4885GAA 3941/4885
US-20200281878-A1 CXCR-2 INHIBITORS FOR TREATING DISORDERS CXCR1, CXCR2, CXCR6 HTT 2606/4885MGAM 2586/4885GAA 1497/4885

“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.