SCHEMBL17040253

SCHEMBL17040253

O=C(O)c1nnc(C(=O)O)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
CYP1A2 P05177 1/20 0.43
NR4A2 P43354 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31

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
Hydrochloric Acid SCHEMBL11596232 0.97 PTPN1 (0.48) PTPN1CYP1A2NR4A2NPC1RAB9A
SCHEMBL18364475 0.87 PTPN1 (0.42) PTPN1CYP1A2NR4A2
SCHEMBL185561 0.81
SCHEMBL8334992 0.81
SCHEMBL29156966 0.79 PTPN1 (0.41) PTPN1
Hydrochloric Acid SCHEMBL22436543 0.79 PTPN1 (0.41) PTPN1ALDH1A1
SCHEMBL22436525 0.79 PTPN1 (0.41) PTPN1ALDH1A1
Potassium SCHEMBL834916 0.79 PTPN1 (0.41) PTPN1ALDH1A1
SCHEMBL8840142 0.75 PTPN1 (0.39) PTPN1
SCHEMBL13302546 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283574-A1 Multivariate and other metal-organic frameworks, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-16 US disclosed
US-10287304-B2 Acid, solvent, and thermal resistant metal-organic frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-14 US disclosed
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-12 US disclosed
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-12 US disclosed
WO-2015127033-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-27 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 (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-20210283574-A1 Multivariate and other metal-organic frameworks, and uses thereof AQP3, AQP4, AQP1 PTPN1 4462/4885CYP1A2 4492/4885NR4A2 3763/4885
US-10287304-B2 Acid, solvent, and thermal resistant metal-organic frameworks HAO2, ASF1A, FTO PTPN1 4354/4885CYP1A2 2176/4885NR4A2 3658/4885
US-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS HAO2, ASF1A, FTO PTPN1 4354/4885CYP1A2 2176/4885NR4A2 3658/4885

“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.