SCHEMBL16360447

SCHEMBL16360447

CC[N+]1=CC(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 4/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP26B1 Q9NR63 2/20 0.32
CYP26A1 O43174 1/20 0.32
LMNA P02545 1/20 0.32
SNCA P37840 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NT5E P21589 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
SCHEMBL29531338 1.00 S1PR3 (0.35) S1PR3RXRARXRBRXRGALDH1A1
Trifluoroacetic Acid SCHEMBL31717922 0.90 S1PR3 (0.32) S1PR3RXRARXRBRXRGCYP26B1
SCHEMBL30486061 0.86 LMNA (0.36) CYP26B1CYP26A1LMNAKDM4ETDP1
Hydrochloric Acid SCHEMBL31558565 0.85 KDM1A (0.38) LMNA
SCHEMBL14080041 0.84 RXRA (0.33) S1PR3RXRARXRBRXRGALDH1A1
SCHEMBL31657046 0.82 S1PR3 (0.32) S1PR3RXRARXRBRXRGCA1
SCHEMBL30451646 0.81 S1PR3 (0.31) S1PR3RXRARXRBRXRG
SCHEMBL2912341 0.78 CYP26B1 (0.37) S1PR3ALDH1A1CYP26B1TDP1
SCHEMBL31742294 0.72 HPGD (0.31) LMNAHPGDTDP1
SCHEMBL1367336 0.72 LMNA (0.61) S1PR3RXRARXRBRXRGALDH1A1

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-20250223277-A1 COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS PHARMA AG (CH) 2025-07-10 US disclosed
WO-2013025736-A2 DENDRON REPORTER MOLECULES SETA BIOMEDICALS, LLC (US) 2013-02-21 WO 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-20250223277-A1 COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF CFB, CFH, C1QBP S1PR3 1580/4885RXRA 4562/4885RXRB 2999/4885

“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.