SCHEMBL27010232

SCHEMBL27010232

CC(C)C1(F)CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2A13 Q16696 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
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
SCHEMBL27010364 0.94 PTGDR2 (0.43) PTGDR2TSHRALDH1A1CYP2A13OPRM1
SCHEMBL27010304 0.90 PTGDR2 (0.45) PTGDR2TSHRALDH1A1CYP2A13NPC1
SCHEMBL27010235 0.88 PTGDR2 (0.45) PTGDR2TSHRALDH1A1CYP2A13OPRM1
SCHEMBL26620028 0.87 PTGDR2 (0.46) PTGDR2TSHRALDH1A1CYP2A13OPRM1
SCHEMBL24315785 0.87 PTGDR2 (0.42) PTGDR2TSHRALDH1A1OPRM1OPRK1
SCHEMBL27010238 0.87 CYP2D6 (0.43) PTGDR2TSHRALDH1A1CYP2A13CYP2D6
SCHEMBL26620030 0.85 PTGDR2 (0.48) PTGDR2TSHRALDH1A1CYP2A13OPRM1
SCHEMBL24315678 0.83 PTGDR2 (0.43) PTGDR2TSHRALDH1A1CYP2A13OPRM1
SCHEMBL26620324 0.83 PTGDR2 (0.45) PTGDR2TSHRALDH1A1CYP2A13OPRM1
SCHEMBL24315684 0.83 PTGDR2 (0.42) PTGDR2TSHRALDH1A1CYP2D6NPC1

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 PTGDR2 2093/4885TSHR 2445/4885ALDH1A1 2267/4885

“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.