SCHEMBL77483

SCHEMBL77483

CC(C)(C)c1csc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NOS1 P29475 1/20 0.50
CCR4 P51679 5/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL20908390 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NOS1LMNAALDH1A1NPC1
SCHEMBL3605034 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NOS1LMNAALDH1A1NPC1
Anisole SCHEMBL28297354 0.81 ALDH1A1 (0.51) SMN1; SMN2CCR4LMNAALDH1A1NPC1
SCHEMBL4763217 0.80 MEN1 (0.40) SMN1; SMN2LMNAALDH1A1NPC1MAPT
SCHEMBL20769654 0.79 TSHR (0.43) SMN1; SMN2NOS1LMNAALDH1A1NPC1
SCHEMBL20769737 0.79 HSD17B10 (0.47) SMN1; SMN2NOS1LMNAALDH1A1NPC1
SCHEMBL10437775 0.77 SMN1; SMN2 (0.42) SMN1; SMN2NOS1LMNAALDH1A1NPC1
SCHEMBL27183650 0.77 LTA4H (0.44) SMN1; SMN2NOS1CCR4LMNAALDH1A1
SCHEMBL245790 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NOS1LMNAALDH1A1NPC1
SCHEMBL4255129 0.76 TSHR (0.45) SMN1; SMN2NOS1LMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP claimed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US claimed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
CN-116283750-B Heterocyclic amide derivative and preparation method and application thereof 成都泰和伟业生物科技有限公司 2025-02-07 CN disclosed
US-12091413-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2024-09-17 US disclosed
US-4259336-A ANALGESIC, ANTIPYRETIC, ANTITHROMBOTIC, ANTIPHLOGISTIC BOEHRINGER INGELHEIM GMBH (DE) 1981-03-31 US disclosed
EP-0009142-A1 4-Hydroxy-2H(1)benzothieno(2,3-e)-1,2-thiazine-3-carboxamide-1,1-dioxide derivatives and salts thereof, their use and process for their preparation Dr. Karl Thomae GmbH (DE) 1980-04-02 EP 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 (7 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 SMN1; SMN2 2019/4885NOS1 2398/4885CCR4 635/4885
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4091/4885NOS1 1961/4885CCR4 641/4885
US-12091413-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SMN1; SMN2 3247/4885NOS1 895/4885CCR4 3617/4885
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4576/4885NOS1 3248/4885CCR4 442/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 SMN1; SMN2 3033/4885NOS1 2369/4885CCR4 1341/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 SMN1; SMN2 3033/4885NOS1 2369/4885CCR4 1341/4885
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 SMN1; SMN2 4612/4885NOS1 3474/4885CCR4 406/4885

“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.