SCHEMBL7010877

SCHEMBL7010877

O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
CCR3 P51677 1/20 0.41
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 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
SCHEMBL7011154 0.95 CCR3 (0.42) HTR7CCR3ADRA1AADRA1BADAMTS4
SCHEMBL7013341 0.83 ADRA1A (0.40) ADRA1AADRA1B
SCHEMBL7015662 0.78 F10 (0.53)
SCHEMBL7018344 0.72 F10 (0.55)
SCHEMBL7017672 0.71 F10 (0.43)
SCHEMBL12846708 0.70 CHRM2 (0.58) ADRA1BALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL7014699 0.69 F10 (0.48) KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11874161 0.69 SIGMAR1 (0.56) HTR7CCR3ALDH1A1SIGMAR1KMT2A
SCHEMBL7018392 0.69 F10 (0.42)
SCHEMBL7014779 0.67 SIGMAR1 (0.59) ADRA1BMMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH HTR7 2121/4885CCR3 3407/4885ADRA1A 4057/4885

“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.