SCHEMBL18289801

SCHEMBL18289801

O=C(Nc1nc2ccccc2s1)C(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 15/20 0.78
▸ PTPN7 P35236 1/20 0.76
▸ PTPN12 Q05209 1/20 0.76
▸ PTPN13 Q12923 1/20 0.76
▸ SSU72 Q9NP77 1/20 0.76
▸ SCD O00767 1/20 0.62
▸ MMP13 P45452 1/20 0.62
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CSNK1D P48730 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL18289707 0.86 ACP1 (1.00) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289819 0.84 ACP1 (0.82) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL4919533 0.77 SCD (1.00) SCDMMP13MAPTKMT2AALDH1A1
SCHEMBL20281592 0.77 ACP1 (0.75) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289896 0.76 ACP1 (0.77) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289821 0.76 ACP1 (0.71) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL18289826 0.76 ACP1 (0.71) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL4917926 0.74 CSNK1D (0.73) ACP1SCDMMP13MAPTKMT2A
SCHEMBL594516 0.74 SCD (0.69) SCDMMP13MAPTKMT2AALDH1A1
SCHEMBL18289902 0.74 ACP1 (0.77) ACP1PTPN7PTPN12PTPN13SSU72

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 — — US disclosed
US-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 — — US disclosed
WO-2016196569-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 — — WO disclosed
WO-2016196591-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 — — 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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF PTPA, EPM2A, PTPRA ACP1 66/4885PTPN7 48/4885PTPN12 53/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP ACP1 75/4885PTPN7 32/4885PTPN12 45/4885

“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.

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