SCHEMBL4638899

SCHEMBL4638899

C1CSC(C2NCCS2)=N1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL8692422 0.64 MAPT (0.42) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL7258059 0.63 MAPT (0.38) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL1447816 0.63 MAPT (0.45) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL235799 0.63 MAPT (0.41) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL28222341 0.61 MAPT (0.44) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL4153725 0.60 MAPT (0.61) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL29059315 0.60 MAPT (0.43) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8060549 0.60 MAPT (0.42) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL5530224 0.60 MAPT (0.42) MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3873834 0.59 MAPT (0.38) MAPTTDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970482-B2 Acetal compounds and therapeutic uses thereof LIGAND PHARMACEUTICALS INC. (US) 2024-04-30 US disclosed
US-20200339551-A1 ACETAL COMPOUNDS AND THERAPEUTIC USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-10-29 US disclosed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 EP disclosed
EP-1611123-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-02 EP disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 EP disclosed
EP-1653938-A2 METHODS OF TREATMENT OF INFLAMMATORY BOWEL DISEASE WITH LXR AGONISTS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
EP-1611123-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 WO disclosed
WO-2005013946-A2 METHODS OF TREATMENT INFLAMMATORY BOWEL WITH LXR AGONISTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
WO-2004091480-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 WO disclosed
EP-0932606-A4 INHIBITORS OF PRENYL TRANSFERASES BIOMEASURE INC (US) 2000-01-19 EP disclosed
EP-0932606-A1 INHIBITORS OF PRENYL TRANSFERASES Biomeasure Incorporated (US) 1999-08-04 EP disclosed
WO-1998000409-A1 INHIBITORS OF PRENYL TRANSFERASES BIOMEASURE INCORPORATED (US) 1998-01-08 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-20200339551-A1 ACETAL COMPOUNDS AND THERAPEUTIC USES THEREOF PYGL, GYS2, AADAC MAPT 3292/4885TDP1 4686/4885ALDH1A1 50/4885
US-11970482-B2 Acetal compounds and therapeutic uses thereof PYGL, GYS2, AADAC MAPT 3292/4885TDP1 4686/4885ALDH1A1 50/4885

“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.