SCHEMBL323542

SCHEMBL323542

O=C1NCCSC1c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 1/20 0.50
MAP2K1 Q02750 10/20 0.38
RAB9A P51151 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33

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
SCHEMBL16511638 0.83 CYP19A1 (0.41) SMN1; SMN2TDP1MAP2K1RAB9AALDH1A1
SCHEMBL12016001 0.83 MAPT (0.50) SMN1; SMN2TDP1MAPTMAP2K1RAB9A
SCHEMBL22411021 0.83 MAP2K1 (0.48) SMN1; SMN2TDP1MAPTMAP2K1RAB9A
SCHEMBL2328287 0.82 CA2 (0.46) TDP1MAPTMAP2K1ALDH1A1HTT
SCHEMBL14824592 0.79 MAP2K1 (0.43) SMN1; SMN2TDP1MAP2K1RAB9AALDH1A1
SCHEMBL23727994 0.78 LMNA (0.41) TDP1MAPTALDH1A1LMNA
SCHEMBL22411087 0.76 MAP2K1 (0.48) SMN1; SMN2TDP1MAP2K1RAB9ALMNA
SCHEMBL13554954 0.75 MAP2K1 (0.41) SMN1; SMN2TDP1MAP2K1RAB9AALDH1A1
SCHEMBL27749708 0.73 MAPT (0.42) SMN1; SMN2TDP1MAPTRAB9ABRD4
SCHEMBL31232322 0.72 HTR2C (0.37) SMN1; SMN2TDP1MAPTHAO1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US disclosed
US-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US disclosed
US-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US disclosed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US disclosed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US disclosed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US disclosed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP disclosed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 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-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SMN1; SMN2 3012/4885TDP1 2318/4885MAPT 4129/4885
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SMN1; SMN2 3152/4885TDP1 1941/4885MAPT 3719/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SMN1; SMN2 2921/4885TDP1 1722/4885MAPT 1461/4885

“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.