SCHEMBL21828888

SCHEMBL21828888

COc1cccc(OC(=O)Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL297205 0.80 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1501174 0.79 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL5424186 0.78 CTSD (0.47) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL2233000 0.77 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2829108 0.73 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5696260 0.73 SERPINE1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL30524282 0.73 SERPINE1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL833161 0.72 GRM4 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1287120 0.72 LMNA (0.51) CA12CA1CA2CA7CA9
SCHEMBL1997846 0.72 HTT (0.58) CA12CA1CA2CA7CA9

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 CA12 1341/4885CA1 4523/4885CA2 1263/4885
US-20200140384-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB CA12 1341/4885CA1 4523/4885CA2 1263/4885

“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.

Send feedback