SCHEMBL5961598

SCHEMBL5961598

CCC(S)c1cc(C2(C(F)(F)F)C=CN=N2)ccc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
AR P10275 2/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4D Q08499 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CES2 O00748 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
SCHEMBL5961595 0.86 MEN1 (0.31) LMNACYP1A2CYP3A4ARCYP2C9
SCHEMBL3480628 0.77 CYP3A4 (0.34) LMNACYP1A2CYP3A4ARCYP2C9
SCHEMBL5961605 0.64 AKR1C3 (0.42) LMNACYP1A2CYP3A4ARCYP2C9
SCHEMBL5961616 0.62 PTGES (0.43) CYP3A4TSHRMEN1KMT2AMAPK1
SCHEMBL3480813 0.60 CFTR (0.34) MEN1KMT2A
SCHEMBL9290109 0.57 ADRB2 (0.54) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6072903 0.56 HPD (0.47) LMNACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL16956989 0.54 MEN1 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16961929 0.54 ALDH1A1 (0.47) LMNACYP1A2CYP3A4ARCYP2C9
SCHEMBL16094850 0.54 MAPT (0.57) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2

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-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-05-19 US disclosed
US-6509354-B1 Insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-21 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-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 LMNA 4221/4885CYP1A2 27/4885CYP3A4 15/4885

“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.