SCHEMBL19738122

SCHEMBL19738122

O=Cc1c(O)cccc1OP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.56
INPPL1 O15357 8/20 0.53
INPP5A Q14642 4/20 0.53
INPP5B P32019 2/20 0.53
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PDE3A Q14432 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKT1 P31749 1/20 0.42
GAA P10253 1/20 0.40
ERN1 O75460 3/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36

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
SCHEMBL8384709 0.89 SRC (0.63) SRCINPPL1INPP5AINPP5BKDM4E
SCHEMBL842728 0.79 INPPL1 (0.63) SRCINPPL1INPP5AINPP5BKDM4E
SCHEMBL29655758 0.77 INPPL1 (0.59) SRCINPPL1INPP5AINPP5BKDM4E
SCHEMBL522291 0.77 INPPL1 (0.59) SRCINPPL1INPP5AINPP5BKDM4E
SCHEMBL16724689 0.76 ERN1 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16732140 0.76 ERN1 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL743608 0.76 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10ERN1
SCHEMBL28923677 0.76 ERN1 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28895404 0.75 INPPL1 (0.57) SRCINPPL1INPP5AINPP5BKDM4E
Ammonia Solution, Strong SCHEMBL11748950 0.75 INPPL1 (0.57) SRCINPPL1INPP5AINPP5BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 US disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 SRC 2806/4885INPPL1 3661/4885INPP5A 2436/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 SRC 2806/4885INPPL1 3661/4885INPP5A 2436/4885

“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.