SCHEMBL5763555

SCHEMBL5763555

Cc1ccc(S(=O)(=O)O)c(CCc2csc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2A6 P11509 2/20 0.45
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 1/20 0.39
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1180196 0.80 GAA (0.41) ALDH1A1MAPTLMNA
SCHEMBL30823619 0.80 GAA (0.41) ALDH1A1MAPTLMNA
SCHEMBL11567249 0.77 NQO2 (0.47) CA2MTNR1A
SCHEMBL5189165 0.76 TDP1 (0.45) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL21066919 0.75 PTGER1 (0.44) SMN1; SMN2ALDH1A1MAPT
SCHEMBL1160065 0.75 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL30723203 0.74 GAA (0.39) ALDH1A1MAPTLMNA
SCHEMBL5718625 0.74 GAA (0.39) ALDH1A1MAPTLMNA
SCHEMBL29975298 0.74 GAA (0.39) ALDH1A1MAPTLMNA
SCHEMBL816601 0.74 GAA (0.39) ALDH1A1MAPTLMNA

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
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 TP53 1465/4885SMN1; SMN2 2258/4885RXFP1 2599/4885

“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.