SCHEMBL2206871

SCHEMBL2206871

N=C(S)NCc1cc(F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
PLEC Q15149 1/20 0.38
P2RX7 Q99572 3/20 0.34
NTRK1 P04629 1/20 0.34
BCHE P06276 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2R P25116 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTR2A P28223 1/20 0.31
LMNA P02545 1/20 0.31
AKR1A1 P14550 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
SCHEMBL2807778 0.78 TRPV1 (0.30)
SCHEMBL20472487 0.78 P2RX7 (0.43) ALDH1A1KMT2AMEN1P2RX7BCHE
SCHEMBL13537180 0.77 MTNR1A (0.43) KMT2AP2RX7
SCHEMBL559409 0.75 P2RX7 (0.33) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL2025930 0.74 GAA (0.45) ALDH1A1MAPTKMT2AGAAALOX12
SCHEMBL29372134 0.74 GAA (0.45) ALDH1A1MAPTKMT2AGAAALOX12
SCHEMBL18588938 0.73 SLC6A4 (0.50) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL7797904 0.72 PLA2G1B (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14629998 0.70 MPO (0.39) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4031071 0.70 IDO1 (0.41) ALDH1A1MAPTKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US disclosed
CN-1997628-A Sulfur-substituted diarylmethanesulfinyl derivatives CEPHALON INC (US) 2007-07-11 CN disclosed
EP-1737815-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2007-01-03 EP disclosed
US-20050245747-A1 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2005-11-03 US disclosed
WO-2005100308-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2005-10-27 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 (2 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-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives AANAT, SNCA, NAT1 ALDH1A1 615/4885MAPT 181/4885KMT2A 630/4885
US-20050245747-A1 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue TPH2, TPH1, AANAT ALDH1A1 785/4885MAPT 62/4885KMT2A 225/4885

“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.