SCHEMBL4901574

SCHEMBL4901574

O=S(=O)(F)c1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
ELANE P08246 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
SCHEMBL30692655 1.00 PKM (0.49) PKMNPC1RAB9ACES2CES1
SCHEMBL11162849 0.81 AKR1B1 (0.47) PKMCES2CES1POLBELANE
Methane SCHEMBL5097714 0.81 PKM (0.49) PKMNPC1RAB9ACES2CES1
SCHEMBL3195282 0.79 PKM (0.47) PKMNPC1RAB9ACES2CES1
SCHEMBL574988 0.79 PKM (0.47) PKMNPC1RAB9ACES2CES1
SCHEMBL10572174 0.79 F2 (0.41) PKMCA6CA5ACA9CA14
SCHEMBL29536851 0.79 PKM (0.47) PKMNPC1RAB9ACES2CES1
SCHEMBL11158206 0.79 ALPL (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29721599 0.79 PTGES2 (0.49) PKMNPC1RAB9ACA3CA6
SCHEMBL1127112 0.79 PTGES2 (0.49) PKMNPC1RAB9ACA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279889-A Substituted fluorosulfates and uses thereof 深圳湾实验室 2023-12-22 CN disclosed
US-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED 2008-12-25 US disclosed
EP-1814873-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-08-08 EP disclosed
WO-2006038006-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-04-13 WO disclosed
US-4886629-A Process for the preparation of fluorinated benzene sulfonyl fluorides ALLIED-SIGNAL INC. (US) 1989-12-12 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-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders HTR6, HTR5A, TPH1 PKM 2594/4885NPC1 818/4885RAB9A 2312/4885

“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.