SCHEMBL25859093

SCHEMBL25859093

C=C1Cc2ccccc2C1[C@H](N[S+]([O-])C(C)(C)C)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.33
HTR2A P28223 2/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
HRH1 P35367 1/20 0.30
TSHR P16473 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL25854541 1.00 ACE (0.33) ACEHTR2APOLBATMHRH1
SCHEMBL25854584 0.86 EPHX2 (0.30)
SCHEMBL25859152 0.86 EPHX2 (0.30)
SCHEMBL25854610 0.86 POLB (0.36) POLBATMTSHRALDH1A1
SCHEMBL25854661 0.76 PKM (0.30)
SCHEMBL25854537 0.76 HTR2A (0.42) ACEHTR2ATSHRMTNR1AMTNR1B
SCHEMBL22992366 0.75 HTR2A (0.44) ACEHTR2AATMTSHRMTNR1A
SCHEMBL25854712 0.75
SCHEMBL25859233 0.66 POLB (0.35) POLBATMALDH1A1MMP8
SCHEMBL18815112 0.66 IDO1 (0.40) ATMALDH1A1

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-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 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-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA ACE 2294/4885HTR2A 3768/4885POLB 3397/4885

“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.