SCHEMBL6097607

SCHEMBL6097607

C[C@H](CCO)[C@@H](C)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TRPA1 O75762 1/20 0.40
PSIP1 O75475 1/20 0.39
MMP1 P03956 3/20 0.39
MMP7 P09237 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
ACE P12821 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6094391 1.00 TSHR (0.41) TSHRLMNAHSD17B10PSEN1PSEN2
SCHEMBL6094393 1.00 TSHR (0.41) TSHRLMNAHSD17B10PSEN1PSEN2
SCHEMBL6095780 0.82 KMT2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28121988 0.81 PRKDC (0.46) TSHRSMN1; SMN2TRPA1PSIP1MMP1
SCHEMBL17323164 0.79 PSIP1 (0.48) TSHRLMNAHSD17B10SMN1; SMN2PSIP1
SCHEMBL29741753 0.75 LMNA (0.46) TSHRLMNAHSD17B10SMN1; SMN2PSIP1
SCHEMBL20502255 0.75 MMP1 (0.42) SMN1; SMN2TRPA1MMP1MMP7MMP12
SCHEMBL16623120 0.74 HTR6 (0.46) TSHRLMNAHSD17B10SMN1; SMN2PSIP1
SCHEMBL28121991 0.74 HSD11B1 (0.41) TSHRSMN1; SMN2TRPA1PSIP1MMP1
SCHEMBL6095644 0.73 LMNA (0.47) TSHRLMNAHSD17B10SMN1; SMN2MMP1

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-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A TSHR 88/4885LMNA 3190/4885HSD17B10 2214/4885

“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.