SCHEMBL3487760

SCHEMBL3487760

COc1ccc(S(C)(=O)=O)cc1CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.45
KCNH2 Q12809 2/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
STAT6 P42226 1/20 0.45
BLM P54132 1/20 0.44
PTGS2 P35354 10/20 0.43
TACR1 P25103 1/20 0.43
TMEM97 Q5BJF2 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A4 P31645 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL17689140 0.86 SMN1; SMN2 (0.62) SMN1; SMN2TSHRPOLBMAPK1LMNA
SCHEMBL15054692 0.83 SMN1; SMN2 (0.59) SMN1; SMN2TSHRPOLBMAPK1LMNA
SCHEMBL7418349 0.81 SMN1; SMN2 (0.41) SMN1; SMN2TSHRLMNAKCNH2ADRA2A
SCHEMBL34475121 0.81 EPAS1 (0.47) TSHRPOLBMAPK1LMNAHTR2B
Biphenyl SCHEMBL15562954 0.80 POLB (0.51) TSHRPOLBMAPK1
SCHEMBL16972466 0.80 ENPP2 (0.40) SMN1; SMN2LMNAPTGS2PTGS1
SCHEMBL7414193 0.79 HSD17B10 (0.62) SMN1; SMN2TSHRLMNAKCNH2ADRA2A
SCHEMBL16822698 0.79 POLB (0.50) SMN1; SMN2TSHRPOLBMAPK1LMNA
SCHEMBL862980 0.77 POLB (0.73) SMN1; SMN2TSHRPOLBMAPK1LMNA
SCHEMBL2590043 0.77 SMN1; SMN2 (0.65) SMN1; SMN2TSHRPOLBMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855451-B1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS TYK2 INHIBITORS CELLZOME LTD (GB) 2017-10-04 EP disclosed
US-9655897-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2017-05-23 US disclosed
US-9655897-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2017-05-23 US disclosed
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2016-06-30 US disclosed
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2016-06-30 US disclosed
US-9296725-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2016-03-29 US disclosed
US-9296725-B2 Heterocyclyl pyrimidine analogues as TYK2 inhibitors CELLZOME LIMITED (GB) 2016-03-29 US disclosed
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2015-06-18 US disclosed
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors CELLZOME LIMITED (GB) 2015-06-18 US disclosed
US-8470859-B2 Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
EP-2535330-A2 Iminopyridine derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2012-12-19 EP disclosed
US-20100016315-A1 Iminopyridine Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2077262-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-08 EP disclosed
EP-1163214-A1 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 Merck Frosst Canada & Co. (CA) 2001-12-19 EP disclosed
US-6225288-B1 IMPLICATED IN MODULATING APOPTOSIS; TREATMENT OF:CARDIAC AND CEREBRAL ISCHEMIA/REPERFUSION INJURY, SPINAL CORD INJURY AND ORGAN DAMAGE DURING TRANSPLANTATION, CHRONIC NEURODEGENERATIVE DISEASES, IMMUNODEFICIENCY, DIABETES, ALOPECIA, AGING MERK FROSST CANADA & CO. (CA) 2001-05-01 US disclosed
WO-2000055127-A1 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 MERCK FROSST CANADA & CO. (CA) 2000-09-21 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-20100016315-A1 Iminopyridine Derivative and Use Thereof ADRA1D, ADRB1, ADRB2 SMN1; SMN2 223/4885TSHR 1427/4885POLB 3613/4885
US-20150166513-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors TYK2, TXK, IRAK1 SMN1; SMN2 3356/4885TSHR 601/4885POLB 2597/4885
US-20160184307-A1 Heterocyclyl Pyrimidine Analogues As TYK2 Inhibitors TYK2, TXK, IRAK1 SMN1; SMN2 3356/4885TSHR 601/4885POLB 2597/4885

“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.