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Sugi Predict / Compounds / SCHEMBL3738294

SCHEMBL3738294

SCHEMBL3738294

CN(C)S(=O)(=O)N[C@@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.51
▸ AVPR1B P47901 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ REN P00797 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37

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
SCHEMBL3741713 0.90 SRC (0.54) SRCALDH1A1MAPTPTPN1MMP1
SCHEMBL3738151 0.89 SRC (0.52) SRCALDH1A1MAPTMMP1MMP2
SCHEMBL3741892 0.88 SRC (0.51) SRCALDH1A1MAPTMMP1MMP2
SCHEMBL3745655 0.88 SRC (0.51) SRCALDH1A1MAPTMMP1MMP2
SCHEMBL3748684 0.87 SRC (0.50) SRCALDH1A1MAPTMMP1MMP2
SCHEMBL3730068 0.86 NPY5R (0.54) SRCALDH1A1MAPTMMP2MMP9
SCHEMBL3740536 0.86 BMP1 (0.51) SRCALDH1A1MMP1MMP2MMP9
SCHEMBL3740365 0.85 SRC (0.49) SRCCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3742633 0.85 SRC (0.49) SRCPTPN1MMP1MMP2MMP9
SCHEMBL3732102 0.84 TYMS (0.49) SRCNPY5R

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-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 — — US claimed
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 — — US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 — — US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 — — US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 — — US disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 — — 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 SRC 174/4885AVPR1B 4862/4885ALDH1A1 765/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 SRC 174/4885AVPR1B 4862/4885ALDH1A1 765/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 SRC 174/4885AVPR1B 4862/4885ALDH1A1 765/4885

“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.