SCHEMBL28642808

SCHEMBL28642808

O=C(OCc1ccccc1)[C@@H]1CSCCN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.53
FKBP1A P62942 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CYP2C19 P33261 1/20 0.45
CTRB1 P17538 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 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
SCHEMBL11311747 0.91 PREP (0.54) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25590373 0.89 PREP (0.47) PREPFKBP1ANPSR1PSEN1PSEN2
SCHEMBL22019554 0.83 FKBP1A (0.48) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL631581 0.82 FKBP1A (0.58) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL7326760 0.80 FKBP1A (0.66) PREPFKBP1AKLK7KLK5CTRB1
SCHEMBL16272917 0.80 FKBP1A (0.66) PREPFKBP1AKLK7KLK5CTRB1
SCHEMBL6848058 0.79 PDK1 (0.53) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL10518225 0.78 PREP (0.64) PREPSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10518215 0.78 PREP (0.64) PREPSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10370731 0.77 PREP (0.66) PREPSMN1; SMN2NPC1RAB9ACYP2C19

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 5 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230159507-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB PREP 840/4885FKBP1A 1300/4885SMN1; SMN2 1769/4885
US-20260103454-A1 MODULATORS OF HEMOGLOBIN HBZ, HBB, HBG2 PREP 611/4885FKBP1A 1532/4885SMN1; SMN2 1425/4885
US-11548880-B2 Modulators of hemoglobin HBG1, HBG2, HBB PREP 840/4885FKBP1A 1300/4885SMN1; SMN2 1769/4885

“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.