SCHEMBL4927307

SCHEMBL4927307

CC(C)(C)OC(=O)N(C1CCCCC1)S(=O)(=O)c1cccc(C(N)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ SPPL2A Q8TCT8 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CACNA1B Q00975 8/20 0.38
▸ NR1I2 O75469 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36

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
SCHEMBL3632720 0.78 MCOLN3 (0.61) SMN1; SMN2GAACACNA1BNR1I2NR1H3
SCHEMBL3724224 0.75 CA12 (0.43) NPSR1MAPTNR1H3RORCMEN1
SCHEMBL27879694 0.74 RORC (0.41) SMN1; SMN2LMNAPOLBRAB9ARORC
SCHEMBL4928804 0.74 MAPK1 (0.43) SMN1; SMN2LMNAGAATP53MAPT
SCHEMBL27500836 0.67 MEN1 (0.42) SMN1; SMN2GAAPOLBMEN1ALDH1A1
SCHEMBL18586243 0.67 GAA (0.35) SMN1; SMN2GAANPSR1POLBRAB9A
SCHEMBL4926815 0.67 SMN1; SMN2 (0.56) SMN1; SMN2LMNAGAANPSR1MAPT
SCHEMBL1498496 0.67 HTR6 (0.44) CACNA1BNR1I2POLBRAB9ACYP3A4
SCHEMBL3836513 0.67 CCR5 (0.41) SMN1; SMN2LMNAPOLBMEN1ALDH1A1
SCHEMBL13900682 0.66 RORC (0.49) SMN1; SMN2LMNAGAANPSR1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 — — US disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 — — US disclosed
US-20080188659-A1 Method for Preparing Halogenated Amines WYETH (US) 2008-08-07 — — 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-20080188659-A1 Method for Preparing Halogenated Amines PNMT, ABL1, INMT SMN1; SMN2 3833/4885LMNA 1481/4885GAA 2501/4885

“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.

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