SCHEMBL9846453

SCHEMBL9846453

C[C@H]1CN(Cc2ccccc2)C[C@@H]1OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
FUCA1 P04066 2/20 0.43
ACHE P22303 1/20 0.43
DRD2 P14416 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL15866138 1.00 PTPN1 (0.45) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL5745374 1.00 PTPN1 (0.45) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL13379049 0.91 PTPN1 (0.48) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL10522832 0.91 PTPN1 (0.48) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL3833437 0.91 PTPN1 (0.48) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL5745124 0.88 ACHE (0.50) ACHEDRD2RECQLSMN1; SMN2CYP2D6
SCHEMBL5744578 0.88 ACHE (0.50) ACHEDRD2RECQLSMN1; SMN2CYP2D6
SCHEMBL12347368 0.85 PTPN1 (0.42) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL18453426 0.84 PTPN1 (0.44) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL4440958 0.84 PTPN1 (0.44) PTPN1FUCA1DRD2RECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708357-B2 Crystal form of pyrrolidinyl urea derivative and application thereof ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2023-07-25 US disclosed
EP-0443498-A1 Isoindoline derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP 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 (1 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-11708357-B2 Crystal form of pyrrolidinyl urea derivative and application thereof NGF, LCK, RET PTPN1 472/4885FUCA1 3455/4885ACHE 444/4885

“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.