SCHEMBL3220566

SCHEMBL3220566

O=C(CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)NCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
PTPN1 P18031 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
HDAC1 Q13547 1/20 0.42
NAMPT P43490 3/20 0.42
KDM4E B2RXH2 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL3216139 0.99 TRPV1 (0.47) TRPV1LMNATSHRHPGDPTPN1
SCHEMBL3216194 0.89 PTPN1 (0.42) TRPV1LMNAHPGDPTPN1KDM4E
SCHEMBL3226360 0.89 TRPV1 (0.47) TRPV1LMNAHPGDPTPN1KDM4E
SCHEMBL3219608 0.88 PTPN1 (0.54) TRPV1PTPN1
SCHEMBL3226623 0.88 TRPV1 (0.48) TRPV1LMNAHPGDPTPN1KDM4E
SCHEMBL3224316 0.88 MAPT (0.45) TRPV1LMNAHPGDPTPN1KDM4E
SCHEMBL3216067 0.87 CNR1 (0.42) TRPV1LMNAPTPN1KDM4E
SCHEMBL4782790 0.86 MEN1 (0.42) TRPV1PTPN1L3MBTL1HDAC1NAMPT
SCHEMBL3224451 0.86 PTPN1 (0.54) TRPV1PTPN1HDAC1
SCHEMBL3216170 0.86 PTPN1 (0.40) TRPV1LMNAHPGDPTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US claimed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US claimed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20100305036-A1 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (SZ) 2010-12-02 US disclosed
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY JEYASEELAN JEY RAJU 2010-02-11 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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 (3 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC TRPV1 832/4885LMNA 4825/4885TSHR 2200/4885
US-20100305036-A1 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS MUSK, PPP5C, PPP3CA TRPV1 4864/4885LMNA 4141/4885TSHR 152/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA TRPV1 4008/4885LMNA 3831/4885TSHR 1128/4885

“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.