Sugi Predict

Sugi Predict / Compounds / SCHEMBL3224733

SCHEMBL3224733

SCHEMBL3224733

CC(CCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)C(N)=O.O=C1CN(c2ccc(CCCNC(=O)c3ccc(F)cc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LIPG Q9Y5X9 6/20 0.39
▸ PTPN1 P18031 4/20 0.38
▸ PTPN2 P17706 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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 0.91 NPC1 (0.47) NPC1RAB9ALIPGPTPN1ALDH1A1
SCHEMBL2936685 0.89 NPC1 (0.43) NPC1RAB9ALIPGPTPN1ALDH1A1
SCHEMBL3213632 0.86 ALDH1A1 (0.47) NPC1RAB9APTPN1ALDH1A1LMNA
Benzamide SCHEMBL4782794 0.83 PTPN1 (0.43) PTPN1PTPN2DPP4
SCHEMBL4557598 0.83 NPC1 (0.49) NPC1RAB9APTPN1ALDH1A1LMNA
SCHEMBL3226568 0.80 PTPN1 (0.47) LIPGPTPN1PTPN2LIPCKMT2A
SCHEMBL3224621 0.78 PTPN1 (0.47) LIPGPTPN1ALDH1A1LMNALIPC
SCHEMBL4782790 0.78 MEN1 (0.42) NPC1RAB9ALIPGPTPN1NAMPT
SCHEMBL3224729 0.77 PTPN1 (0.37) LIPGPTPN1PTPN2ALDH1A1NAMPT
SCHEMBL3205299 0.77 MEN1 (0.48) RAB9ALIPGPTPN1ALDH1A1NAMPT

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 NPC1 3571/4885RAB9A 3949/4885LIPG 29/4885
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 NPC1 4861/4885RAB9A 3771/4885LIPG 2777/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA NPC1 4712/4885RAB9A 4066/4885LIPG 966/4885

“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.