SCHEMBL9942088

SCHEMBL9942088

O=S(=O)(Nc1ccc(F)cc1)c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.72
PGR P06401 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 2/20 0.66
ALDH1A1 P00352 3/20 0.65
GAA P10253 1/20 0.65
PKM P14618 2/20 0.64
PKLR P30613 1/20 0.64
FFAR1 O14842 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
MAPT P10636 2/20 0.59
PLAU P00749 2/20 0.58
HDAC1 Q13547 1/20 0.58
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL20021987 0.86 PGR (0.77) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL28396503 0.86 PGR (0.77) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL29549847 0.86 PGR (0.77) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL20021984 0.84 ATM (0.72) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL9479593 0.84 PGR (0.73) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL808105 0.84 ATM (0.72) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL8752432 0.81 PLAU (0.76) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL27790749 0.81 ATM (0.73) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL16863962 0.81 KMT2A (0.68) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL9942091 0.81 ATM (0.68) ATMPGRSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 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-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRPC4, TRPC1, TRPC3 ATM 4440/4885PGR 4624/4885SMN1; SMN2 2430/4885

“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.