SCHEMBL3130690

SCHEMBL3130690

NC(=S)NC[C@H]1CCCO1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 6/20 0.53
TP53 P04637 1/20 0.53
ALOX12 P18054 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.50
GAA P10253 2/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL1962256 1.00 KMT2A (0.60) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL10341246 0.82 KMT2A (0.62) KMT2ASMN1; SMN2USP2HPGDTP53
Ethane SCHEMBL7561091 0.82 KMT2A (0.54) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL10310295 0.81 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL862990 0.81 KMT2A (0.60) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL30223355 0.81 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL30223215 0.81 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL4812101 0.81 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL29484164 0.80 ALDH1A1 (0.61) KMT2ASMN1; SMN2USP2HPGDTP53
SCHEMBL13973608 0.77 KMT2A (0.64) KMT2ASMN1; SMN2HPGDALDH1A1MEN1

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
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
CN-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 CN disclosed
WO-2010068171-A1 A PROCESS FOR THE PREPARATION OF 3- [ (2R) TETRAHYDROFURAN-2- YLMETHYL] -2-THIOXO-L, 2, 3, 7-TETRAHYDRO-6H-PURIN-6-ONE ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010068171-A1 A PROCESS FOR THE PREPARATION OF 3- [ (2R) TETRAHYDROFURAN-2- YLMETHYL] -2-THIOXO-L, 2, 3, 7-TETRAHYDRO-6H-PURIN-6-ONE ASTRAZENECA AB (SE) 2010-06-17 WO 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 (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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KMT2A 1378/4885SMN1; SMN2 2433/4885USP2 3596/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KMT2A 1609/4885SMN1; SMN2 2336/4885USP2 3869/4885

“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.