SCHEMBL4033887

SCHEMBL4033887

CN(CCCOS(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 1/20 0.31
CA1 P00915 9/20 0.31
CA2 P00918 9/20 0.31
CA9 Q16790 8/20 0.31
CA12 O43570 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA14 Q9ULX7 2/20 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
SCHEMBL795481 0.86 USP2 (0.50) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL5376935 0.82 ALDH1A1 (0.64) USP2TSHRKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL2285973 0.80 TSHR (0.61) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL5792262 0.76 ALDH1A1 (0.68) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL576408 0.75 TSHR (0.88) USP2TSHRKDM4EALDH1A1LMNA
Busulfan SCHEMBL4373 0.75 TSHR (1.00) USP2TSHRKDM4EALDH1A1LMNA
Busulfan SCHEMBL4764696 0.75 TSHR (1.00) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL27006824 0.75 ALDH1A1 (0.54) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL18174906 0.75 TSHR (0.54) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL14891731 0.75 MEN1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392298-B1 FUSED HETEROCYCLIC COMPOUNDS AMGEN INC (US) 2009-02-18 EP disclosed
US-20070135425-A1 Fused heterocyclic compounds AMGEN INC. (US) 2007-06-14 US disclosed
US-7125885-B2 Fused heterocyclic compounds AMGEN INC. (US) 2006-10-24 US disclosed
US-20050148617-A1 Fused heterocyclic compounds TULARIK INC. 2005-07-07 US disclosed
EP-1392298-A4 FUSED HETEROCYCLIC COMPOUNDS TULARIK INC (US) 2005-05-25 EP disclosed
US-6858619-B2 Fused heterocyclic compounds AMGEN INC. (US) 2005-02-22 US disclosed
US-6809104-B2 COMPRISES 6H-PYRIDO(4,3-B)CARBAZOLE-CONTAINING COMPOUNDS FOR TREATMENT OF OBESITY, EATING/ANXIETY/MOOD DISORDERS AND OTHER DISEASES MEDIATED BY G-PROTEIN-COUPLED-RECEPTORS AND MELANIN-CONCENTRATING HORMONE RECEPTORS TULARIK INC. 2004-10-26 US disclosed
EP-1392298-A2 FUSED HETEROCYCLIC COMPOUNDS Tularik Inc. (US) 2004-03-03 EP disclosed
US-20030176694-A1 Fused heterocyclic compounds AMGEN INC. 2003-09-18 US disclosed
US-20030023085-A1 Fused heterocyclic compounds TULARIK INC. 2003-01-30 US disclosed
WO-2002089729-A2 FUSED HETEROCYCLIC COMPOUNDS TULARIK INC. (US) 2002-11-14 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 (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-20030023085-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 USP2 3831/4885TSHR 433/4885KDM4E 3194/4885
US-20050148617-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 USP2 3831/4885TSHR 433/4885KDM4E 3194/4885
US-20030176694-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 USP2 3831/4885TSHR 433/4885KDM4E 3194/4885
US-20070135425-A1 Fused heterocyclic compounds GIPR, MC4R, GPR119 USP2 3831/4885TSHR 433/4885KDM4E 3194/4885

“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.