Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570138

SCHEMBL4570138

SCHEMBL4570138

CCCOC(=O)Nc1ccc(N2CCC[C@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALK Q9UM73 5/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ EML4 Q9HC35 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ RET P07949 2/20 0.35
▸ ROS1 P08922 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ MTOR P42345 2/20 0.33

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
SCHEMBL17082167 1.00 TP53 (0.40) TP53SMN1; SMN2HPGDALKTAAR1
SCHEMBL4570136 0.94 TAAR1 (0.39) TP53SMN1; SMN2ALKTAAR1S1PR1
SCHEMBL17082166 0.94 TAAR1 (0.39) TP53SMN1; SMN2ALKTAAR1S1PR1
SCHEMBL17081999 0.90 S1PR1 (0.41) TP53SMN1; SMN2ALKTAAR1S1PR1
SCHEMBL4570137 0.90 S1PR1 (0.41) TP53SMN1; SMN2ALKTAAR1S1PR1
SCHEMBL4570139 0.90 ALK (0.36) TP53SMN1; SMN2ALKTAAR1S1PR1
SCHEMBL17082089 0.90 ALK (0.36) TP53SMN1; SMN2ALKTAAR1S1PR1
SCHEMBL17082120 0.90 SMN1; SMN2 (0.42) TP53SMN1; SMN2HPGDMAPTNPC1
SCHEMBL4570133 0.90 SMN1; SMN2 (0.42) TP53SMN1; SMN2HPGDMAPTNPC1
SCHEMBL17082193 0.89 SMN1; SMN2 (0.43) TP53SMN1; SMN2HPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — 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 (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 TP53 4797/4885SMN1; SMN2 3517/4885HPGD 45/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 TP53 4797/4885SMN1; SMN2 3517/4885HPGD 45/4885

“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.