SCHEMBL2022129

SCHEMBL2022129

CC(C)c1ccc(SCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
HTT P42858 2/20 0.38
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
ADRB2 P07550 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2279013 0.78 MCL1 (0.53) TYRHTTMCL1BCL2DDB1
SCHEMBL944020 0.78 TYR (0.44) TYRHTTMCL1BCL2DDB1
SCHEMBL2021510 0.77 ALDH1A1 (0.44) ALDH1A1GAAMAPTPKMCYP2C9
SCHEMBL104124 0.76 TYR (0.58) TYRHTTADRB2IDO1ALDH1A1
SCHEMBL11250295 0.76 NR1H2 (0.32) HTTMAPT
SCHEMBL10012057 0.76 HTT (0.44) TYRHTTMCL1BCL2DDB1
SCHEMBL4556108 0.76 SLC6A4 (0.52) TYRHTTALDH1A1
SCHEMBL21953832 0.75 CHRNA7 (0.53) HTTMCL1BCL2ADRB2HIF1A
SCHEMBL21155778 0.74 TYR (0.41) TYRHTTMCL1BCL2DDB1
SCHEMBL6366693 0.74 HTT (0.43) TYRHTTMCL1BCL2DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
WO-2020244613-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR 北京泰德制药股份有限公司 2020-12-10 WO disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides I M &T RESEARCH, INC. (US) 2011-06-30 US disclosed
WO-2009114409-A2 FLUORINATION PROCESSES WITH ARYLSULFUR HALOTETRAFLUORIDES IM & T RESEARCH, INC. (US) 2009-09-17 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 (1 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-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides CYP2F1, PFAS, CYP4F2 TYR 123/4885HTT 1190/4885MCL1 2259/4885

“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.