SCHEMBL18289710

SCHEMBL18289710

O=C(Nc1cnc2ccccc2c1)C(c1ccccc1)S(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 1.00
KDR P35968 1/20 0.58
PTPN12 Q05209 4/20 0.56
PTPN13 Q12923 3/20 0.56
SSU72 Q9NP77 3/20 0.56
PTPN7 P35236 2/20 0.56
PTPN1 P18031 3/20 0.54
PTPN6 P29350 3/20 0.54
PTPN11 Q06124 3/20 0.54
CNR2 P34972 1/20 0.54
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 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
SCHEMBL5184424 0.82 ACP1 (0.69) ACP1KDRCNR2KDM4ENPC1
SCHEMBL5183680 0.81 ACP1 (0.67) ACP1KDRCNR2KDM4ENPC1
SCHEMBL5227514 0.79 ACP1 (0.65) ACP1KDRKDM4ENPC1RAB9A
SCHEMBL651159 0.77 KDR (0.74) ACP1KDRKDM4ENPC1RAB9A
SCHEMBL5184940 0.77 ACP1 (0.62) ACP1KDRKDM4ENPC1RAB9A
SCHEMBL13365400 0.76 KDM4E (0.62) ACP1KDRKDM4ENPC1RAB9A
SCHEMBL30858830 0.76 KDM4E (0.62) ACP1KDRKDM4ENPC1RAB9A
SCHEMBL18291915 0.76 ACP1 (0.68) ACP1KDRCNR2KDM4ENPC1
SCHEMBL29221848 0.76 KDM4E (0.62) ACP1KDRKDM4ENPC1RAB9A
SCHEMBL27866684 0.76 NPC1 (0.80) ACP1KDRKDM4ENPC1RAB9A

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-2016196591-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-12-08 WO 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

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 66/4885KDR 4379/4885PTPN12 53/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP ACP1 75/4885KDR 4210/4885PTPN12 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.