SCHEMBL3763474

SCHEMBL3763474

CN(C)C(=S)Oc1ccccc1C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRC P12931 3/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL19707093 0.81 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2LMNANPSR1
SCHEMBL6329823 0.81 SRC (0.55) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL13594500 0.80 RAB9A (0.54) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL14440729 0.79 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL7391480 0.79 PTGDR2 (0.49) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL10905391 0.79 ADRA2A (0.45) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL14957643 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL4802368 0.76 ALDH1A1 (0.63) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL15700118 0.76 CA1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL15700110 0.76 ERN1 (0.40) ALDH1A1SMN1; SMN2LMNAKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5246981-A None JP disclosed
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
WO-2014073626-A1 METHOD FOR PROMOTING PLANT GROWTH 住友化学株式会社 (JP) 2014-05-15 WO disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 WO disclosed
JP-H05246981-A PRODUCTION OF ARYLDIALKYLTHIOCARBAMATE, 2-MERCAPTOBENZALDEHYDE AND 2-SUBSTITUTED BENZO(B)THIOPHENE SUMITOMO SEIKA CHEM CO LTD 1993-09-24 JP 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 (3 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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY ALDH1A1 1941/4885HPGD 3607/4885HTT 3396/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 ALDH1A1 1702/4885HPGD 3287/4885HTT 3106/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS ALDH1A1 2475/4885HPGD 4502/4885HTT 4781/4885

“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.