SCHEMBL17044680

SCHEMBL17044680

C=CN1CCCC1=O.C=Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.34
CYP2C19 P33261 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
AKR1C3 P42330 5/20 0.34
RCE1 Q9Y256 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
NT5E P21589 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 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
SCHEMBL20767429 0.88 ALDH1A1 (0.41) TDP1ALDH1A1TSHR
SCHEMBL29710199 0.86 CYP2C19 (0.45) TDP1MEN1KMT2ACYP2C19LMNA
SCHEMBL27857165 0.85 TSHR (0.48) TDP1MEN1KMT2AGAACYP2C19
Vinylsulfonic Acid SCHEMBL7905559 0.81 MEN1 (0.35) MEN1KMT2ALMNATSHR
Sulfuric Acid SCHEMBL10757867 0.81 BRD4 (0.35) MEN1KMT2AGAALMNAALDH1A1
Styrene SCHEMBL668985 0.80 ALDH1A1 (0.47) CYP2C19RCE1L3MBTL1ALDH1A1TSHR
Sulfuric Acid SCHEMBL28298162 0.80 BRD4 (0.34) MEN1KMT2AGAALMNATSHR
Sulfuric Acid SCHEMBL28298163 0.80 BRD4 (0.34) MEN1KMT2AGAALMNATSHR
SCHEMBL9578897 0.78 MAPT (0.39) GAACYP2C19ALDH1A1SMN1; SMN2KDM4E
Styrene SCHEMBL27827369 0.78 ALDH1A1 (0.44) RCE1L3MBTL1ALDH1A1TSHRKDM4E

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-9505713-B2 High-purity sodium p-styrenesulfonate with excellent hue, method for producing the same, poly(sodium p-styrenesulfonate) with excellent hue using the same, and dispersant and synthetic starch for clothing finishing using the poly(sodium p-styrenesulfonate) TOSOH ORGANIC CHEMICAL CO., LTD (JP) 2016-11-29 US disclosed
US-20150246876-A1 HIGH-PURITY SODIUM P-STYRENESULFONATE WITH EXCELLENT HUE, METHOD FOR PRODUCING THE SAME, POLY (SODIUM P-STYRENESULFONATE) WITH EXCELLENT HUE USING THE SAME, AND DISPERSANT AND SYNTHETIC STARCH FOR CLOTHING FINISHING USING THE POLY ( SODIUM P-STYRENESULFONATE) TOSOH ORGANIC CHEMICAL CO., LTD. (JP) 2015-09-03 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-20150246876-A1 HIGH-PURITY SODIUM P-STYRENESULFONATE WITH EXCELLENT HUE, METHOD FOR PRODUCING THE SAME, POLY (SODIUM P-STYRENESULFONATE) WITH EXCELLENT HUE USING THE SAME, AND DISPERSANT AND SYNTHETIC STARCH FOR CLOTHING FINISHING USING THE POLY ( SODIUM P-STYRENESULFONATE) HPSE, STS, TST TDP1 2501/4885MEN1 2464/4885KMT2A 2823/4885

“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.