SCHEMBL90762

SCHEMBL90762

Cc1cc(OCC(=O)N2CCC(S(=O)(=O)NCc3ccccc3)CC2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
USP2 O75604 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
FKBP1A P62942 1/20 0.43

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
SCHEMBL56987 0.89 KMT2A (0.51) GPR183LMNAMEN1POLBKMT2A
SCHEMBL8236980 0.87 ALDH1A1 (0.51) GPR183MEN1POLBKMT2ASMN1; SMN2
SCHEMBL57050 0.84 KMT2A (0.47) GPR183LMNAMEN1POLBKMT2A
SCHEMBL66545 0.76 ALDH1A1 (0.48) GPR183LMNAMEN1POLBKMT2A
SCHEMBL56480 0.75 SMN1; SMN2 (0.53) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20989309 0.74 GPR183 (0.65) GPR183POLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL57774 0.71 USP2 (0.44) LMNAMEN1POLBKMT2ASMN1; SMN2
SCHEMBL55795 0.71 STS (0.61) LMNAMEN1KMT2ASMN1; SMN2GAA
SCHEMBL65663 0.70 ALDH1A1 (0.46) MEN1POLBKMT2ASMN1; SMN2GAA
SCHEMBL11953320 0.70 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2RAB9AHTT

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-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 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-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 GPR183 926/4885LMNA 3617/4885MEN1 4785/4885

“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.