SCHEMBL1955265

SCHEMBL1955265

N#CCS(=O)(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
GAA P10253 3/20 0.48
AKR1B1 P15121 1/20 0.47
ACP3 P15309 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MIF P14174 2/20 0.44
IDO1 P14902 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 4/20 0.41
GALR3 O60755 1/20 0.41
S1PR2 O95136 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR4A2 P43354 1/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 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
SCHEMBL27450225 0.85 GAA (0.56) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL7527885 0.81 LMNA (0.55) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL1958962 0.81 KIF11 (0.51) TAAR1MIFIDO1KMT2ADAO
SCHEMBL10494329 0.79 GALR3 (0.53) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL10494334 0.78 AKR1B1 (0.44) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL497366 0.77 ACP3 (0.57) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL14426935 0.77 LMNA (0.52) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL10478553 0.76 AKR1B1 (0.43) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL2377114 0.76 HTR2A (0.53) LMNAGAAAKR1B1ACP3TAAR1
SCHEMBL4879814 0.76 KIF11 (0.57) LMNAGAAAKR1B1ACP3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507209-B1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL INC (US) 2015-07-08 EP disclosed
CN-102712583-B Pesticidal bis-organosulfur compounds MERIAL LTD 2015-04-08 CN disclosed
US-8846569-B2 Pesticidal bis-organosulfur compounds MERIAL LIMITED (US) 2014-09-30 US disclosed
US-20120283094-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL, INC. 2012-11-08 US disclosed
EP-2507209-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS Merial Limited (US) 2012-10-10 EP disclosed
CN-102712583-A Pesticidal bis-organosulfur compounds MERIAL LTD 2012-10-03 CN disclosed
WO-2011069143-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL LIMITED (US) 2011-06-09 WO disclosed
US-5886195-A REACTING AN APPROPRIATE CARBOXALDEHYDE WITH AN APPROPRIATE SULFONYLACETONITRILE SUGEN, INC. (US) 1999-03-23 US disclosed
US-5710173-A ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-01-20 US disclosed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO 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-20120283094-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS DDT, GSS, GSR LMNA 4134/4885GAA 3408/4885AKR1B1 2649/4885

“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.