SCHEMBL5656838

SCHEMBL5656838

O=S(=O)(c1cc[c]cc1)N1CCS(O)(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.44
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 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
SCHEMBL1229961 0.80 USP2 (0.69) USP2POLBLMNATSHRSMN1; SMN2
SCHEMBL421626 0.80 USP2 (0.63) USP2POLBLMNATSHRALDH1A1
SCHEMBL4773341 0.79 ALDH1A1 (0.54) USP2LMNATSHRALDH1A1HTT
SCHEMBL3568679 0.79 POLB (0.68) USP2POLBLMNATSHRATM
SCHEMBL2122633 0.78 USP2 (0.73) USP2POLBLMNATSHRSMN1; SMN2
SCHEMBL76639 0.78 USP2 (0.73) USP2POLBLMNATSHRSMN1; SMN2
SCHEMBL391396 0.75 POLB (0.68) USP2POLBLMNATSHRSMN1; SMN2
SCHEMBL5657050 0.75 LMNA (0.61) USP2POLBLMNANPC1ALDH1A1
SCHEMBL4729326 0.75 MAPT (0.64) USP2LMNAALDH1A1MAPTPKM
SCHEMBL5658299 0.72 MEN1 (0.70) LMNASMN1; SMN2ALDH1A1MAPTHTT

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-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR USP2 4357/4885POLB 3689/4885LMNA 4822/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR USP2 4046/4885POLB 3937/4885LMNA 4775/4885

“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.