SCHEMBL3735583

SCHEMBL3735583

Cc1ccc(C(F)(F)P(=O)(O)O)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
PGK1 P00558 4/20 0.53
PGK2 P07205 4/20 0.53
PTPN5 P54829 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
PTPRC P08575 1/20 0.38

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
SCHEMBL3738152 0.81 PTPN1 (0.55) PTPN1PGK1PGK2PTPN5PTPRC
SCHEMBL3740717 0.79 PTPN1 (0.54) PTPN1PGK1PGK2PTPN5PTPRC
SCHEMBL3737925 0.79 PTPN1 (0.70) PTPN1PGK1PGK2PTPN5
SCHEMBL4009974 0.76 SMN1; SMN2 (0.36) PTPN1SMN1; SMN2ALOX15ALDH1A1HSD17B10
SCHEMBL3743438 0.76 PTPN1 (0.70) PTPN1PGK1PGK2PTPN5
SCHEMBL3737962 0.76 TSHR (0.51) PTPN1PGK1PGK2PTPN5SMN1; SMN2
SCHEMBL2748456 0.75 SMN1; SMN2 (0.52) SMN1; SMN2ALOX15ALDH1A1HSD17B10TDP1
SCHEMBL29441420 0.75 SMN1; SMN2 (0.52) SMN1; SMN2ALOX15ALDH1A1HSD17B10TDP1
SCHEMBL6834136 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALOX15ALDH1A1HSD17B10TDP1
Hydrochloric Acid SCHEMBL27738830 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALOX15ALDH1A1HSD17B10TDP1

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-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
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO 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 (2 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 PTPN1 2/4885PGK1 1901/4885PGK2 1459/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PGK1 1901/4885PGK2 1459/4885

“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.