SCHEMBL7782408

SCHEMBL7782408

CC(C)(C1CCNCC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CACNA1B Q00975 2/20 0.43
NR1I2 O75469 1/20 0.43
HTR2C P28335 4/20 0.41
TACR1 P25103 4/20 0.37
SLC6A4 P31645 1/20 0.37
PTPN5 P54829 1/20 0.35
HTR6 P50406 3/20 0.35
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35

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
SCHEMBL3045594 0.82 CYP3A4 (0.53) CYP3A4CACNA1BNR1I2HTR2CSLC6A4
SCHEMBL8371376 0.80 HTR6 (0.34) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL17942305 0.79 HTR6 (0.50) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL7787142 0.77 STS (0.59) CYP3A4CACNA1BNR1I2
SCHEMBL17948971 0.76 HTR6 (0.47) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL30833472 0.76 HTR6 (0.47) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL17949306 0.76 HTR6 (0.47) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL30833392 0.76 HTR6 (0.47) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL30833407 0.76 HTR6 (0.47) CYP3A4CACNA1BNR1I2HTR2CHTR6
SCHEMBL17949307 0.76 HTR6 (0.47) CYP3A4CACNA1BNR1I2HTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234604-A1 Process for Making Substituted Aryl Sulfone Intermediates LINGHU XIN 2010-09-16 US disclosed
US-20100234604-A1 Process for Making Substituted Aryl Sulfone Intermediates LINGHU XIN 2010-09-16 US disclosed
US-20100234603-A1 Process for Making Substituted Aryl Sulfone Intermediates LINGHU XIN 2010-09-16 US disclosed
US-20100234603-A1 Process for Making Substituted Aryl Sulfone Intermediates LINGHU XIN 2010-09-16 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 (2 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-20100234604-A1 Process for Making Substituted Aryl Sulfone Intermediates SULT1A1, SULT1E1, STS CYP3A4 70/4885CACNA1B 4731/4885NR1I2 3013/4885
US-20100234603-A1 Process for Making Substituted Aryl Sulfone Intermediates SULT1A1, SULT1E1, STS CYP3A4 70/4885CACNA1B 4731/4885NR1I2 3013/4885

“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.