SCHEMBL21828895

SCHEMBL21828895

COC(=O)c1ccc(OC)c(O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
ERN1 O75460 2/20 0.49
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL10542808 0.86 MAPT (0.46) MAPTTDP1ERN1KDM4EHSD17B10
SCHEMBL9787573 0.84 MAPT (0.66) MAPTTDP1ERN1KDM4EHSD17B10
SCHEMBL14495075 0.84 MAPT (0.51) MAPTTDP1ERN1KDM4EHSD17B10
SCHEMBL1301130 0.83 HSD17B2 (0.48) MAPTTDP1ERN1KDM4EHSD17B10
SCHEMBL856059 0.83 MAPT (0.59) MAPTTDP1KDM4EHSD17B10MAPK1
SCHEMBL26660999 0.82 MAPT (0.50) MAPTTDP1KDM4EHSD17B10ALDH1A1
SCHEMBL23665074 0.81 CA12 (0.52) MAPTTDP1KDM4EHSD17B10LMNA
SCHEMBL15201401 0.81 CA1 (0.47) MAPTTDP1ERN1KDM4EHSD17B10
SCHEMBL23834841 0.81 KDM4E (0.42) MAPTKDM4EHSD17B10MAPK1LMNA
SCHEMBL8380028 0.80 CA1 (0.52) MAPTTDP1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860975-B1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS INC (US) 2023-10-18 EP disclosed
EP-3860975-B1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS INC (US) 2023-10-18 EP disclosed
EP-3860975-A1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE Global Blood Therapeutics, Inc. (US) 2021-08-11 EP disclosed
US-11014884-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
US-20200140384-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-07 US disclosed
WO-2020072377-A1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-04-09 WO disclosed
WO-2020072377-A1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-04-09 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-11014884-B2 Modulators of hemoglobin HBG1, HBG2, HBB MAPT 4092/4885TDP1 3819/4885ERN1 3085/4885
US-20200140384-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB MAPT 4092/4885TDP1 3819/4885ERN1 3085/4885

“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.