SCHEMBL14820157

SCHEMBL14820157

CCC1(NC(=O)C(F)(F)F)CCN(C)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
USP2 O75604 2/20 0.32
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ELANE P08246 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL5568218 0.86 CYP3A4 (0.32) CYP3A4USP2HIF1ATSHRCYP2C19
SCHEMBL14805916 0.82
SCHEMBL18484579 0.81
SCHEMBL5571460 0.78 ALDH1A1 (0.35) HIF1ACTSBCTSSCTSKEPHX1
SCHEMBL5567075 0.71 CTSS (0.46) HIF1ACTSBCTSSCTSK
SCHEMBL14550090 0.70 DRD4 (0.31)
SCHEMBL15298875 0.69 BDKRB2 (0.36)
SCHEMBL18361890 0.68 KDM4E (0.31) USP2
SCHEMBL21413632 0.67 USP2 (0.32) USP2
SCHEMBL5567219 0.66 CYP2D6 (0.41) CYP3A4USP2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B CYP3A4 430/4885USP2 2231/4885HIF1A 3861/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B CYP3A4 430/4885USP2 2231/4885HIF1A 3861/4885

“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.