SCHEMBL3219948

SCHEMBL3219948

CCCc1scc(C(=O)OCC)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
ALOX15 P16050 2/20 0.40
PRKCZ Q05513 2/20 0.40

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
Hydrochloric Acid SCHEMBL11109077 0.98 ALDH1A1 (0.48) HSP90AA1ALDH1A1HSD17B10MAPTGAA
SCHEMBL3216286 0.89 ALDH1A1 (0.49) HSP90AA1ALDH1A1HSD17B10MAPTMEN1
SCHEMBL3211264 0.87 GAA (0.51) ALDH1A1HSD17B10MAPTGAAMEN1
Hydrochloric Acid SCHEMBL11108092 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTGAAMEN1
SCHEMBL3216608 0.85 KDM4E (0.44) ALDH1A1HSD17B10MAPTGAAKMT2A
Hydrochloric Acid SCHEMBL11104467 0.84 KDM4E (0.43) ALDH1A1HSD17B10MAPTGAAMEN1
SCHEMBL3218276 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTGAAMEN1
SCHEMBL3221087 0.81 GABRP (0.37) HSP90AA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3205576 0.79 CA1 (0.42) HSP90AA1ALDH1A1HSD17B10MAPTGAA
SCHEMBL3220413 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858805-B2 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER AKTIENGESELLSCHAFT (DE) 2010-12-28 US disclosed
US-20100056798-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-7642221-B2 herbicides; preparation from chemical intermediates; treating the crops BAYER AKTIENGESELLSCHAFT (DE) 2010-01-05 US disclosed
US-6964939-B1 Substituted thiene-3-yl-sulfonyl amino(thio)carbonyl-triazolin(thi)ones BAYER AKTIENGESELLSCHAFT (DE) 2005-11-15 US disclosed
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-16 US disclosed
US-4428963-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1984-01-31 US disclosed
US-4317915-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1982-03-02 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 (2 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-20100056798-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, CCNE2 HSP90AA1 2043/4885ALDH1A1 975/4885HSD17B10 2079/4885
US-20050130843-A1 Substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones TST, SULT1E1, SULT2A1 HSP90AA1 1857/4885ALDH1A1 597/4885HSD17B10 1783/4885

“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.