SCHEMBL1369917

SCHEMBL1369917

CC(C)c1ccc(S(C)(=O)=O)cc1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.50
IDE P14735 1/20 0.50
HRH4 Q9H3N8 1/20 0.42
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
SLC9A1 P19634 2/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ENPP2 Q13822 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL27568681 0.89 G6PD (0.50) G6PDIDEHRH4AKR1C3AKR1C2
SCHEMBL26812067 0.82 LMNA (0.43) G6PDIDEHRH4AKR1C3AKR1C2
SCHEMBL12695017 0.78 ALDH1A1 (0.47) G6PDIDEAKR1C3AKR1C2SMN1; SMN2
SCHEMBL898422 0.77 G6PD (0.64) G6PDIDESMN1; SMN2CA12CA1
SCHEMBL1368631 0.77 AKR1C3 (0.39) G6PDIDEHRH4AKR1C3AKR1C2
SCHEMBL807270 0.77 LMNA (0.47) G6PDIDEAKR1C3AKR1C2SMN1; SMN2
SCHEMBL10105627 0.77 PTGS2 (0.43) G6PDIDEAKR1C3AKR1C2SMN1; SMN2
SCHEMBL13889401 0.76 BRD4 (0.43) G6PDIDEHRH4AKR1C3AKR1C2
SCHEMBL15077045 0.74 HTT (0.51) G6PDIDEHRH4AKR1C3AKR1C2
SCHEMBL13889428 0.74 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTPTGDR2

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 G6PD 357/4885IDE 4312/4885HRH4 4/4885

“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.