SCHEMBL2075846

SCHEMBL2075846

OB(O)ONc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
IDO1 P14902 2/20 0.42
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
CTSD P07339 1/20 0.39
PTGS2 P35354 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAS2R38 P59533 3/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 2/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
CDK9 P50750 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
SCHEMBL1557359 0.79 ORAI1 (0.42) TSHRIDO1HSD17B10ALDH1A1TDP1
SCHEMBL2075844 0.79 ALDH1A1 (0.43) TSHRIDO1HSD17B10ALDH1A1TDP1
SCHEMBL812351 0.71 TSHR (0.39) TSHRIDO1HSD17B10ALDH1A1TDP1
SCHEMBL44951 0.70
SCHEMBL574779 0.70
Oxalic Acid SCHEMBL28932212 0.70 TSHR (0.39) TSHRIDO1HSD17B10ALDH1A1CYP3A4
SCHEMBL863709 0.69 ALDH1A1 (0.50) TSHRIDO1HSD17B10ALDH1A1TDP1
SCHEMBL1287190 0.69 ALDH1A1 (0.50) TSHRIDO1HSD17B10ALDH1A1TDP1
Hydrochloric Acid SCHEMBL892263 0.69 KCNH3 (0.47) TSHRIDO1HSD17B10ALDH1A1TDP1
SCHEMBL28771750 0.69 PHGDH (0.46) TSHRIDO1HSD17B10ALDH1A1TDP1

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
CN-102731953-A Propylene resin composition and film thereof SUMITOMO CO LTD 2012-10-17 CN disclosed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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 (1 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-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 TSHR 3288/4885IDO1 452/4885HSD17B10 3275/4885

“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.