SCHEMBL17606353

SCHEMBL17606353

NC(=O)C1CC2(NC(=O)NC2=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1A1 P14550 1/20 0.47
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.40
ITGA4 P13612 1/20 0.40

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
SCHEMBL7737577 0.87 TSHR (0.46) AKR1B1AKR1B10AKR1A1TSHRTDP1
SCHEMBL17604736 0.80 AKR1B1 (0.40) AKR1B1AKR1B10AKR1A1TSHRTDP1
SCHEMBL10602986 0.80 TSHR (0.49) AKR1B1AKR1B10AKR1A1TSHRTDP1
SCHEMBL17604915 0.78 AKR1B1 (0.52) AKR1B1TSHRTDP1ITGA4
SCHEMBL10601680 0.77 TSHR (0.49) AKR1B1AKR1A1TSHRTDP1ITGA4
SCHEMBL7739979 0.76 HSD11B1 (0.43) AKR1B1AKR1B10AKR1A1TSHRTDP1
SCHEMBL10604506 0.74 TSHR (0.47) AKR1B1AKR1B10AKR1A1TSHRTDP1
SCHEMBL10604226 0.72 TSHR (0.55) AKR1B1TSHRTDP1ITGA4
SCHEMBL11111384 0.70 TSHR (0.71) AKR1B1TSHRTDP1
SCHEMBL30062196 0.68 TSHR (0.49) AKR1B1TSHRTDP1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AKR1B1 84/4885AKR1B10 236/4885AKR1A1 106/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A AKR1B1 69/4885AKR1B10 165/4885AKR1A1 88/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AKR1B1 84/4885AKR1B10 236/4885AKR1A1 106/4885

“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.