SCHEMBL27010308

SCHEMBL27010308

COC1(C(C)C)CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 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
SCHEMBL24315684 0.93 PTGDR2 (0.42) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL27010240 0.91 CYP2D6 (0.44) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL27010238 0.90 CYP2D6 (0.43) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL27010304 0.87 PTGDR2 (0.45) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL27010306 0.85 PTGDR2 (0.46) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL26620187 0.85 NPC1 (0.46) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL27010436 0.85 PTGDR2 (0.44) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL26620499 0.83 NPC1 (0.45) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL26620168 0.83 PTGDR2 (0.47) NPC1PTGDR2USP2CYP3A4CYP2C9
SCHEMBL24316060 0.83 PTGDR2 (0.48) NPC1PTGDR2USP2CYP3A4CYP2C9

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
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 NPC1 1077/4885PTGDR2 2093/4885USP2 343/4885

“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.