SCHEMBL1464221

SCHEMBL1464221

CC(C)(C(=O)O)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.39
AKR1C3 P42330 1/20 0.38
KEAP1 Q14145 1/20 0.37
MEP1B Q16820 1/20 0.36
PHGDH O43175 1/20 0.36
KAT6A Q92794 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10171693 0.86 CES2 (0.40) RIPK1CES2CES1AKR1C3KEAP1
SCHEMBL1465570 0.79 KAT6A (0.45) KAT6ANPC1RAB9AFABP4ALOX15
SCHEMBL1463585 0.79 KAT6A (0.44) RIPK1MEP1BKAT6ARAB9AHPGD
SCHEMBL1465565 0.77 ALDH1A1 (0.48) PKMAKR1C3PHGDHCNR2SMN1; SMN2
SCHEMBL766883 0.77 PHGDH (0.48) AKR1C3PHGDHCNR2NPC1KDM4E
SCHEMBL14676352 0.76 PTK2B (0.41) RIPK1CES2CES1PKMMEP1B
SCHEMBL1465656 0.75 ABCC9 (0.45) CES2CES1PKMAKR1C3PHGDH
SCHEMBL1464299 0.75 CSNK2A1 (0.41) MEP1BKAT6ASMN1; SMN2ALOX15ALDH1A1
Trifluoroacetic Acid SCHEMBL28810548 0.75 CA9 (0.40) CES2CES1PKMPTPN1CA3
SCHEMBL23358269 0.72 CNR2 (0.42) PHGDHCNR2CA9

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-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RIPK1 2182/4885CES2 1312/4885CES1 1314/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 RIPK1 2440/4885CES2 1194/4885CES1 1258/4885

“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.