SCHEMBL3213066

SCHEMBL3213066

Cc1ccc(C)c(S(=O)(=O)NCCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PTPN1 P18031 5/20 0.45
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PTPN2 P17706 1/20 0.38
POLB P06746 3/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4783200 0.95 TDP1 (0.46) TDP1PTPN1LMNAHPGDKMT2A
SCHEMBL2934077 0.88 PTPN1 (0.46) PTPN1LMNAKMT2AL3MBTL1PTPN2
SCHEMBL2934340 0.86 PTPN1 (0.47) TDP1PTPN1KMT2APTPN2POLB
SCHEMBL3225865 0.84 PTPN1 (0.53) PTPN1PTPN2POLB
SCHEMBL3202520 0.83 PTPN1 (0.48) PTPN1LMNAPTPN2POLBPKM
SCHEMBL3200992 0.82 PTPN1 (0.45) PTPN1LMNAHPGDPTPN2HTT
SCHEMBL2937663 0.81 PTPN1 (0.52) PTPN1PTPN2POLB
SCHEMBL2933075 0.81 PTPN1 (0.45) PTPN1PTPN2POLBTP53ALDH1A1
SCHEMBL3216007 0.81 PTPN1 (0.47) PTPN1PTPN2POLBRAB9AMAPT
SCHEMBL2936990 0.81 PTPN1 (0.51) PTPN1PTPN2POLB

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 TDP1 1055/4885PTPN1 21/4885LMNA 4825/4885
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 TDP1 654/4885PTPN1 35/4885LMNA 4141/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA TDP1 1533/4885PTPN1 41/4885LMNA 3831/4885

“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.