SCHEMBL1993383

SCHEMBL1993383

CCc1cccc(C(F)F)c1SC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8097087 0.76 GABRA1 (0.41) GABRA1GABRB2L3MBTL1MGLLTSHR
SCHEMBL20327617 0.75 GABRA1 (0.41) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL22826999 0.75 GABRA1 (0.41) GABRA1GABRB2L3MBTL1LMNASMN1; SMN2
SCHEMBL5190741 0.75 GABRA1 (0.41) GABRA1GABRB2L3MBTL1LMNAALDH1A1
SCHEMBL1990817 0.75 SCN4A (0.35) ALDH1A1TSHR
SCHEMBL30148621 0.75 GABRA1 (0.41) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL13895541 0.72 GABRA1 (0.43) GABRA1GABRB2LMNAALDH1A1
SCHEMBL9193804 0.68 GABRA1 (0.52) GABRA1GABRB2L3MBTL1MGLLMAPT
SCHEMBL9190050 0.68 GABRA1 (0.52) GABRA1GABRB2L3MBTL1MGLLMAPT
SCHEMBL24446439 0.68 GABRA1 (0.43) GABRA1GABRB2ALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS GABRA1 681/4885GABRB2 484/4885L3MBTL1 3219/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS GABRA1 1550/4885GABRB2 802/4885L3MBTL1 3745/4885

“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.