SCHEMBL3224729

SCHEMBL3224729

O=C(CCN(CCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)C(=O)c1ccc(F)cc1)NCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
LIPG Q9Y5X9 2/20 0.36
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTPN2 P17706 1/20 0.32
NAMPT P43490 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32

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
SCHEMBL3918932 0.85 NPC1 (0.47) PTPN1LIPGALDH1A1NAMPT
SCHEMBL3213632 0.81 ALDH1A1 (0.47) PTPN1ALDH1A1NAMPT
SCHEMBL2936685 0.81 NPC1 (0.43) PTPN1LIPGALDH1A1NAMPT
SCHEMBL4782790 0.78 MEN1 (0.42) PTPN1LIPGTRPV1NAMPT
SCHEMBL4557598 0.78 NPC1 (0.49) PTPN1ALDH1A1NAMPT
SCHEMBL3224316 0.78 MAPT (0.45) PTPN1TRPV1HPGDGPR119KDM4E
SCHEMBL3224621 0.77 PTPN1 (0.47) PTPN1LIPGHPGDKDM4EALDH1A1
SCHEMBL3224733 0.77 NPC1 (0.39) PTPN1LIPGALDH1A1PTPN2NAMPT
SCHEMBL3220566 0.77 TRPV1 (0.47) PTPN1TRPV1HPGDKDM4ENAMPT
SCHEMBL3226360 0.77 TRPV1 (0.47) PTPN1TRPV1HPGDGPR119KDM4E

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 PTPN1 21/4885LIPG 29/4885TRPV1 832/4885
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 PTPN1 35/4885LIPG 2777/4885TRPV1 4864/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885LIPG 966/4885TRPV1 4008/4885

“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.