SCHEMBL22019555

SCHEMBL22019555

O=C(OCc1ccccc1)[C@@H]1CSCCN1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
BACE1 P56817 1/20 0.46
GLA P06280 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 2/20 0.41
GAA P10253 1/20 0.40
HTR2B P41595 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
Hydrochloric Acid SCHEMBL7325554 0.86 TSHR (0.53) TSHRBACE1GLAFABP7FABP5
SCHEMBL15251729 0.83 TSHR (0.59) TSHRBACE1GLAFABP7FABP5
SCHEMBL20418703 0.83 TSHR (0.59) TSHRBACE1GLAFABP7FABP5
SCHEMBL629930 0.83 TSHR (0.59) TSHRBACE1GLAFABP7FABP5
SCHEMBL7228241 0.83 NAAA (0.46)
Hydrochloric Acid SCHEMBL7406170 0.82 TSHR (0.62) TSHRBACE1GLAFABP7FABP5
SCHEMBL9432409 0.82 NAAA (0.46)
SCHEMBL6259204 0.80 TSHR (0.58) TSHRBACE1GLAFABP7FABP5
SCHEMBL4877662 0.80 TSHR (0.58) TSHRBACE1GLAFABP7FABP5
SCHEMBL10062407 0.80 TSHR (0.58) TSHRBACE1GLAFABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103454-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2026-04-16 US disclosed
CN-113316568-B 2-Formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin 全球血液疗法股份有限公司 2024-11-08 CN disclosed
US-20230159507-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
US-11548880-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-01-10 US disclosed
EP-4046988-A1 2-FORMYL-3-HYDROXYPHENYLOXYMETHYL COMPOUNDS CAPABLE OF MODULATING HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2022-08-24 EP disclosed
EP-4046988-A1 2-FORMYL-3-HYDROXYPHENYLOXYMETHYL COMPOUNDS CAPABLE OF MODULATING HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2022-08-24 EP disclosed
EP-3880654-B1 2-FORMYL-3-HYDROXYPHENYLOXYMETHYL COMPOUNDS CAPABLE OF MODULATING HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-12-29 EP disclosed
CN-113316568-A 2-formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin 全球血液疗法股份有限公司 2021-08-27 CN disclosed
US-20200157085-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-21 US 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 (4 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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB TSHR 2357/4885BACE1 4843/4885GLA 319/4885
US-20230159507-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB TSHR 2357/4885BACE1 4843/4885GLA 319/4885
US-20260103454-A1 MODULATORS OF HEMOGLOBIN HBZ, HBB, HBG2 TSHR 1596/4885BACE1 1693/4885GLA 2168/4885
US-11548880-B2 Modulators of hemoglobin HBG1, HBG2, HBB TSHR 2357/4885BACE1 4843/4885GLA 319/4885

“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.