SCHEMBL244725

SCHEMBL244725

OCc1ccc(C(F)F)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
RAB9A P51151 1/20 0.31
G6PC1 P35575 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL18277249 0.80 CYP4F2 (0.38) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL14809555 0.78 ALDH1A1 (0.45) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL9967681 0.76 ALDH1A1 (0.43) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL28568262 0.76 ALDH1A1 (0.43) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL13463395 0.76
SCHEMBL183168 0.74 ALDH1A1 (0.42) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL22454889 0.74 ALDH1A1 (0.42) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL29111193 0.73 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL30688993 0.73 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL15512490 0.73 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555153-A1 Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides ROUSSEL UCLAF (FR) 1993-08-11 EP claimed
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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 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
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
CN-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO disclosed
CN-101535303-A Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2009-09-16 CN disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed
US-5405865-A Pyrethroid esters ROUSSEL-UCLAF (FR) 1995-04-11 US disclosed
US-5340835-A Insecticides ROUSSEL-UCLAF (FR) 1994-08-23 US disclosed
EP-0555153-A1 Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides ROUSSEL UCLAF (FR) 1993-08-11 EP disclosed
EP-0554167-A1 Derivatives of 2,2-dimethyl-3-((2,2-difluorocyclopropylidene)-methyl)cyclopropanecarboxylic acid, process for their preparation and their use as pesticides ROUSSEL-UCLAF (FR) 1993-08-04 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 (4 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 433/4885TDP1 2255/4885TSHR 2958/4885
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885TDP1 2499/4885TSHR 2605/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 ALDH1A1 1991/4885TDP1 547/4885TSHR 2771/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885TDP1 2499/4885TSHR 2605/4885

“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.