SCHEMBL7583060

SCHEMBL7583060

S=C(Oc1ccccc1)c1ccccc1.S=C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
PARP10 Q53GL7 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.38
PKM P14618 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
SCHEMBL3087539 1.00 ELANE (0.42) ELANEPARP10NSD2ALDH1A1MAPT
SCHEMBL8834811 0.95 ELANE (0.42) ELANEPARP10NSD2ALDH1A1MAPT
Thiobenzoic Acid SCHEMBL2253615 0.93 ELANE (0.38) ELANEPARP10NSD2ALDH1A1MAPT
SCHEMBL28415280 0.85 CES2 (0.45) ELANEPARP10ALDH1A1MAPTTSHR
SCHEMBL19943304 0.85 KMT2A (0.44) ELANEPARP10ALDH1A1L3MBTL1ATM
SCHEMBL23731491 0.85 USP2 (0.49) ELANEALDH1A1MAPTTSHRKMT2A
SCHEMBL26965397 0.85 NPC1 (0.56) ELANEALDH1A1MAPTLTA4HTSHR
SCHEMBL23731490 0.85 CES2 (0.45) ELANEALDH1A1MAPTTSHRL3MBTL1
SCHEMBL23731325 0.85 ALOX15 (0.41) ALDH1A1MAPTL3MBTL1ATMKMT2A
SCHEMBL2373359 0.84 MAPT (0.43) ELANEALDH1A1MAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458968-B2 REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE RENSSELAER POLYTECHNIC INSTITUTE 2002-10-01 US disclosed
US-20020019554-A1 Dithiocarboxylic ester synthetic process RENSSELAER POLYTECHNIC INSTITUTE 2002-02-14 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 (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-20020019554-A1 Dithiocarboxylic ester synthetic process TST, PCCA, CTH ELANE 4187/4885PARP10 4271/4885NSD2 3661/4885

“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.