SCHEMBL18516680

SCHEMBL18516680

C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(O)N2CCN(C(C)=O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 5/20 0.41
S1PR1 P21453 1/20 0.41
RORC P51449 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.38
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
MAPT P10636 2/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL14801 0.84 NPC1 (0.49) KMT2AGAALMNAS1PR1MEN1
SCHEMBL18968497 0.80 KMT2A (0.46) KMT2AGAALMNAS1PR1RORC
SCHEMBL27180693 0.69 LMNA (0.65) KMT2AGAALMNAS1PR1MEN1
SCHEMBL18516792 0.68 NPC1 (0.69) KMT2AGAALMNAMEN1ALDH1A1
SCHEMBL24747368 0.65 LMNA (0.45) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL21538241 0.59 NPC1 (0.40) KMT2ALMNARORCMEN1ALDH1A1
SCHEMBL18711334 0.59 ALDH1A1 (0.75) KMT2AGAAMEN1ALDH1A1MAPT
SCHEMBL18711451 0.59 KMT2A (0.77) KMT2AGAALMNAMEN1RAB9A
SCHEMBL5472405 0.58 CNR2 (0.51) KMT2ALMNAMEN1ESR1ALDH1A1
SCHEMBL9258208 0.58 ESR1 (0.75) S1PR1RAB9AESR1

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-9982309-B2 Method for treating cell proliferation related disorders AGIOS PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20170044620-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2017-02-16 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-20170044620-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS IDH2, IDH1, IDH3B KMT2A 457/4885GAA 1109/4885LMNA 1543/4885

“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.