SCHEMBL7044949

SCHEMBL7044949

Sc1ccccc1-c1nccs1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
RAB9A P51151 2/20 0.42
CYP2A6 P11509 1/20 0.42
ADRA1A P35348 3/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1B P35368 1/20 0.41
ADRA2A P08913 1/20 0.40
METAP1 P53582 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CASP6 P55212 1/20 0.35
ADRB2 P07550 1/20 0.35
NPC1 O15118 1/20 0.35
TGFBR1 P36897 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
IDO1 P14902 1/20 0.34
GRM5 P41594 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL409776 0.98 PDPK1 (0.53) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL7624882 0.96 PDPK1 (0.52) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL2269191 0.96 PDPK1 (0.52) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL5692672 0.83 PDPK1 (0.64) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL1951149 0.81 PDPK1 (0.61) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL24181671 0.80 PDPK1 (0.43) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL8567274 0.76 PDPK1 (0.55) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL26259375 0.75 PDPK1 (0.59) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL26259560 0.75 PDPK1 (0.54) PDPK1ADORA2AADORA1RAB9ACYP2A6
SCHEMBL10977585 0.74 PDPK1 (0.53) PDPK1ADORA2AADORA1RAB9ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056340-B1 POTENTIATION OF BIOCIDE ACTIVITY USING A DIETHANOLAMIDE BUCKMAN LABOR INC (US) 2003-06-25 EP claimed
CN-105078773-A Biodegradable compositions comprising renewably-based, biodegradable 1,3-propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY LLC 2015-11-25 CN disclosed
US-20030065192-A1 Antimicrobial compounds and methods of use GHOSH TIRTHANKAR (US) 2003-04-03 US disclosed
US-6391150-B1 GERMINATION OF SPORES, HEAT TREATMENT BY HOT DISPERSION, CONTROLLING TEMPERATURE AND PROCESSING SPORE FREE RECYCLED PULP TO PAPER TISSUE SCA HYGIENE PRODUCTS GMBH (DE) 2002-05-21 US disclosed
US-4313836-A CONCENTRATES OF A SULFURIZED ORGANOMOLYBDENUM OR ORGANO ANTIMONY COMPOUND AND A OXYALKYLENE PHOSPHATE ESTER BASF WYANDOTTE CORPORATION (US) 1982-02-02 US disclosed
US-4151099-A POLYETHOXYLATED ESTER, SULFURIZED MOLYBDENUM OR ANTIMONY ORGANOPHOSPHORODITHIOATE BASF WYANDOTTE CORPORATION (US) 1979-04-24 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-20030065192-A1 Antimicrobial compounds and methods of use TST, NISCH, PIR PDPK1 2958/4885ADORA2A 4785/4885ADORA1 4789/4885

“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.