SCHEMBL2237177

SCHEMBL2237177

CC(C)(O)C(C)(C)OB(O)c1cnc(N2CCCCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ACACB O00763 2/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ BCL6 P41182 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL2069380 0.99 ALDH1A1 (0.38) POLBSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL1601666 0.88 HTR3A (0.40) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL114540 0.86 POLB (0.43) POLBSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL427484 0.83 UBE2T (0.42) POLBALDH1A1MAPTHPGDS
SCHEMBL670907 0.81 UBE2T (0.43) POLBALDH1A1MAPTHPGDS
SCHEMBL531970 0.80 GPR119 (0.51) MAPTGPR119
SCHEMBL17654363 0.78 AOC3 (0.37) MAPTHPGDSKMT2A
SCHEMBL16431714 0.77 MAPT (0.39) POLBSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL15011704 0.76 CHRNB2 (0.37) —
SCHEMBL14994336 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 — — US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 — — US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 — — US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 — — US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 — — US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 — — EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 — — 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 (4 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 POLB 2589/4885SMN1; SMN2 3960/4885ALDH1A1 2528/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 POLB 2508/4885SMN1; SMN2 3595/4885ALDH1A1 2250/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 POLB 2589/4885SMN1; SMN2 3960/4885ALDH1A1 2528/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 POLB 2233/4885SMN1; SMN2 3915/4885ALDH1A1 2075/4885

“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.

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