SCHEMBL24188597

SCHEMBL24188597

C=CCSCc1ccc(C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.37
ESR2 Q92731 11/20 0.35
ESR1 P03372 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX5 P09917 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MITF O75030 1/20 0.32
KLF5 Q13887 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
LSS P48449 1/20 0.31

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
SCHEMBL8539247 0.80 SMN1; SMN2 (0.50) CYP3A4CYP2D6CYP2C9ALOX5SMN1; SMN2
SCHEMBL28977341 0.75 KDM4E (0.33) CYP3A4ALOX5SMN1; SMN2MITFALDH1A1
SCHEMBL251315 0.75 ALDH1A1 (0.41) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL28770396 0.72 CYP3A4 (0.45) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL10671966 0.71 IDO1 (0.42) CYP3A4CYP2C9ALOX5SMN1; SMN2ALDH1A1
SCHEMBL45130 0.71 ESR1 (0.41) ESR2ESR1ALOX5SMN1; SMN2ALDH1A1
SCHEMBL2919141 0.70 ESR2 (0.43) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL1121965 0.70 CYP2C19 (0.44) CYP3A4CYP2D6CYP2C9ALOX5SMN1; SMN2
SCHEMBL3133878 0.69 HTR2C (0.38) SMN1; SMN2ALDH1A1
SCHEMBL5886587 0.68 ESR2 (0.56) ESR2ESR1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009882-A1 ORGANOSULFUR COMPOUNDS MARIPOSA THERAPEUTICS LTD. (GB) 2022-01-13 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 (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-20220009882-A1 ORGANOSULFUR COMPOUNDS F3, F2, TST ACE 1576/4885ESR2 1989/4885ESR1 2311/4885

“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.