SCHEMBL6605814

SCHEMBL6605814

CCCN(C(N)=O)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MLYCD O95822 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL3367921 0.90 NPC1 (0.41) TP53MLYCDALDH1A1GLATSHR
SCHEMBL7701538 0.85 ALDH1A1 (0.46) TP53MLYCDALDH1A1GLATSHR
SCHEMBL16278131 0.84 MLYCD (0.34) MLYCDSMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL5510305 0.84 TP53 (0.40) TP53MLYCDALDH1A1GLATSHR
SCHEMBL28015118 0.84 TP53 (0.43) TP53MLYCDALDH1A1GLATSHR
SCHEMBL6261729 0.81 TP53 (0.58) TP53ALDH1A1GLATSHRTRPM8
SCHEMBL6037568 0.80 TP53 (0.43) TP53MLYCDALDH1A1SMN1; SMN2
SCHEMBL9435970 0.80 ADRA2A (0.44) TP53MLYCDALDH1A1TSHRNPC1
SCHEMBL5681948 0.80 ALOX5 (0.42) TP53MLYCDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL27349395 0.80 TP53 (0.56) TP53ALDH1A1GLATSHRTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 TP53 1171/4885MLYCD 3366/4885ALDH1A1 440/4885

“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.