SCHEMBL3386471

SCHEMBL3386471

Cc1ccc(S(=O)(=O)OC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 4/20 0.34
CYP2C9 P11712 2/20 0.33
STAT3 P40763 1/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL3386468 1.00 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL27228919 1.00 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL26906164 0.89 CYP2D6 (0.32) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL1845464 0.89 CYP2D6 (0.36) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL21760775 0.89 CYP2D6 (0.36) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL1133701 0.89 CYP2D6 (0.36) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL16720978 0.83 CYP2D6 (0.45) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL16720982 0.83 CYP2D6 (0.45) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL13612925 0.82 NOS3 (0.32) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL22283565 0.82 CYP3A4 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689879-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-02-12 EP disclosed
US-11274101-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-15 US disclosed
US-11242348-B2 2022-02-08 US disclosed
US-20200255439-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-13 US disclosed
EP-3689879-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-08-05 EP disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US 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 (5 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-20200255439-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE ALDH1A1 1193/4885MEN1 187/4885KMT2A 1637/4885
US-11274101-B2 Heterocyclic compound MAG, HTT, ACHE ALDH1A1 1193/4885MEN1 187/4885KMT2A 1637/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 898/4885MEN1 1534/4885KMT2A 1378/4885
US-11242348-B2 MAG, ACHE, GAP43 ALDH1A1 1166/4885MEN1 505/4885KMT2A 1665/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 914/4885MEN1 1218/4885KMT2A 1609/4885

“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.