SCHEMBL8304086

SCHEMBL8304086

Cc1occ(C(F)(F)F)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
SORT1 Q99523 3/20 0.33
ASPH Q12797 1/20 0.33
DAO P14920 1/20 0.32
CFTR P13569 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9223224 0.78 ALDH1A1 (0.44) TP53NPC1GAARAB9ASMN1; SMN2
SCHEMBL1800550 0.73 NPC1 (0.42) NOTUMTP53NPC1GAARAB9A
SCHEMBL473470 0.71 KDM4E (0.46) NOTUM
SCHEMBL21479607 0.70 HSD11B1 (0.31)
SCHEMBL11696604 0.69 ALDH1A1 (0.42) NOTUMDAONPC1GAARAB9A
SCHEMBL10811729 0.67 CYP3A4 (0.38) RAB9A
SCHEMBL17867158 0.67 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL23461895 0.66 ALDH1A1 (0.43) GAASMN1; SMN2
SCHEMBL27569292 0.65 KMT2A (0.42) TP53NPC1GAARAB9ASMN1; SMN2
SCHEMBL6573412 0.65 NOTUM (0.57) NOTUMTAS2R14GLRA3GLRBASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
CN-1058490-C Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2000-11-15 CN disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
CN-1122333-A Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 1996-05-15 CN disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
US-5405865-A Pyrethroid esters ROUSSEL-UCLAF (FR) 1995-04-11 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 (1 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-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 NOTUM 874/4885TAS2R14 4743/4885GLRA3 1637/4885

“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.