SCHEMBL13302192

SCHEMBL13302192

COc1cc(C)c(S(=O)(=O)N2CCCC(CCCS(=O)(=O)N3CCC(CCN4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP19A1 P11511 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BDKRB1 P46663 1/20 0.35
▸ EBP Q15125 1/20 0.35
▸ DHCR7 Q9UBM7 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3337535 0.92 EBP (0.38) CYP19A1ALDH1A1SMN1; SMN2BDKRB1EBP
Hydrochloric Acid SCHEMBL640337 0.91 EBP (0.37) ALDH1A1BDKRB1EBPDHCR7HTR7
SCHEMBL10205618 0.91 EBP (0.44) TSHRNPSR1ALDH1A1EBPDHCR7
Hydrochloric Acid SCHEMBL640696 0.90 EBP (0.43) TSHRNPSR1ALDH1A1EBPDHCR7
SCHEMBL10205617 0.89 EPHX2 (0.39) TSHRNPSR1CYP19A1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL640205 0.88 EPHX2 (0.39) TSHRNPSR1CYP19A1ALDH1A1LMNA
SCHEMBL640785 0.83 EPHX2 (0.40) TSHRNPSR1CYP19A1ALDH1A1LMNA
SCHEMBL640174 0.82 EBP (0.52) NPSR1ALDH1A1EBPDHCR7EPHX2
Hydrochloric Acid SCHEMBL639042 0.82 EPHX2 (0.40) TSHRNPSR1CYP19A1ALDH1A1LMNA
SCHEMBL639078 0.81 EBP (0.48) NPSR1ALDH1A1EBPDHCR7EPHX2

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-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 — — US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 — — 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 TSHR 287/4885NPSR1 4/4885CYP19A1 2236/4885

“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.

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