SCHEMBL13797458

SCHEMBL13797458

Cc1ccc(S(=O)(=O)CCOC(=O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 5/20 0.51
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
PAX8 Q06710 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL18760683 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL25095343 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL18748725 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1939983 0.86 KMT2A (0.48) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL24333929 0.86 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL16349315 0.85 HSD11B1 (0.47) LMNA
SCHEMBL14578756 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4067415 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3298234 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL114044 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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 (3 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-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 ALDH1A1 72/4885CYP3A4 209/4885CYP2C9 131/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 ALDH1A1 72/4885CYP3A4 209/4885CYP2C9 131/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 ALDH1A1 3634/4885CYP3A4 628/4885CYP2C9 783/4885

“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.