SCHEMBL1368631

SCHEMBL1368631

CC(C)c1ccc(S(C)(=O)=O)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
G6PD P11413 1/20 0.38
IDE P14735 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ENPP2 Q13822 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL23664867 0.85 LMNA (0.40) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL26812067 0.82 LMNA (0.43) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL12695017 0.78 ALDH1A1 (0.47) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL10105627 0.77 PTGS2 (0.43) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL807270 0.77 LMNA (0.47) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL1369917 0.77 G6PD (0.50) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL13889401 0.76 BRD4 (0.43) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL15077045 0.74 HTT (0.51) AKR1C3AKR1C2G6PDIDESMN1; SMN2
SCHEMBL13889428 0.74 SMN1; SMN2 (0.56) SMN1; SMN2PTGDR2LMNAPTGS2ALDH1A1
SCHEMBL1368797 0.74 PTGS2 (0.42) G6PDIDESMN1; SMN2ENPP2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 AKR1C3 80/4885AKR1C2 64/4885G6PD 357/4885

“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.