Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073027

SCHEMBL10073027

SCHEMBL10073027

CC(C)Cn1cc(C(C)C)c2c3ccccc3n(C)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.58
▸ ATM Q13315 5/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 9/20 0.57
▸ KDM4E B2RXH2 8/20 0.57
▸ GAA P10253 4/20 0.57
▸ HPGD P15428 8/20 0.56
▸ MAPT P10636 4/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ TSHR P16473 1/20 0.54
▸ POLB P06746 4/20 0.53
▸ GLA P06280 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TP53 P04637 1/20 0.51

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
SCHEMBL13362284 0.86 HSD17B10 (0.59) HSD17B10ATMMEN1KMT2AALDH1A1
SCHEMBL4752756 0.73 MAPT (0.84) HSD17B10ATMMEN1KMT2AALDH1A1
SCHEMBL4753163 0.71 HSD17B10 (0.74) HSD17B10ATMMEN1KMT2AALDH1A1
SCHEMBL18288078 0.66 HTT (0.46) HSD17B10ATMMEN1KMT2AALDH1A1
SCHEMBL25993639 0.65 MAPT (0.43) HSD17B10ATMALDH1A1KDM4EGAA
SCHEMBL25993597 0.65 MAPT (0.43) HSD17B10ATMALDH1A1KDM4EGAA
SCHEMBL27276356 0.65 GPR3 (0.54) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL13227990 0.65 KDM4E (0.67) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL31305766 0.64 HSD17B10 (0.58) HSD17B10ATMKMT2AALDH1A1KDM4E
SCHEMBL20362766 0.64 ALKBH5 (0.46) HSD17B10ATMMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 — — US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 — — US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 — — US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 — — US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — 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 (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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 HSD17B10 1042/4885ATM 4769/4885MEN1 4405/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 HSD17B10 1042/4885ATM 4769/4885MEN1 4405/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 HSD17B10 1042/4885ATM 4769/4885MEN1 4405/4885

“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.