Sugi Predict

Sugi Predict / Compounds / SCHEMBL5652691

SCHEMBL5652691

SCHEMBL5652691

CCC(CO)Nc1ccc(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ MAP2K1 Q02750 6/20 0.38
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 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
SCHEMBL7178285 0.78 HCAR3 (0.55) PKMMAPTKMT2A
SCHEMBL7183876 0.78 HCAR3 (0.55) PKMMAPTKMT2A
SCHEMBL22061328 0.77 MAP2K1 (0.40) MAP2K1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL26026410 0.75 MAP2K1 (0.40) PKMMAP2K1IRAK4CSNK1DCSNK1G2
SCHEMBL5119709 0.72 ALDH1A1 (0.51) PKMMAPTHTTKMT2ASMN1; SMN2
SCHEMBL22060849 0.72 ABCC9 (0.40) MAP2K1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9232027 0.71 MAP2K1 (0.42) PKMMAP2K1CSNK1DCSNK1G2USP30
SCHEMBL11200087 0.70 MMP13 (0.46) MAP2K1MAPTUSP30SMN1; SMN2
SCHEMBL11200089 0.70 MMP13 (0.46) MAP2K1MAPTUSP30SMN1; SMN2
SCHEMBL25004034 0.68 PDE2A (0.55) SMN1; SMN2

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-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 — — US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 — — US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 — — US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 — — US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 — — 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 PKM 1419/4885MAP2K1 3052/4885ABCC9 3684/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 PKM 1419/4885MAP2K1 3052/4885ABCC9 3684/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 PKM 1419/4885MAP2K1 3052/4885ABCC9 3684/4885

“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.