SCHEMBL16664442

SCHEMBL16664442

CNC(=O)c1c(F)cccc1CF

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
HTT P42858 1/20 0.39
NOD2 Q9HC29 1/20 0.39
RIPK1 Q13546 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL14731237 0.88 GAA (0.50) GAACES2CES1KMT2AMEN1
SCHEMBL4145186 0.83 GAA (0.61) GAACES2CES1KMT2AMEN1
SCHEMBL16664390 0.81 DOT1L (0.46) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL17166118 0.79 CA12 (0.48) CES2CES1KMT2A
SCHEMBL16664440 0.79 LMNA (0.39) GAATYK2ALDH1A1MAPT
SCHEMBL14454108 0.77 GAA (0.53) GAACES2CES1KMT2AMEN1
SCHEMBL15237593 0.77 CES2 (0.48) GAACES2CES1KMT2AMEN1
SCHEMBL19524960 0.75 GAA (0.52) GAACES2CES1KMT2AMEN1
SCHEMBL1202579 0.75 GAA (0.52) GAACES2CES1KMT2AMEN1
SCHEMBL22520853 0.75 GAA (0.52) GAACES2CES1KMT2AMEN1

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-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 US disclosed
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-01-12 US disclosed
US-9394315-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2016-07-19 US disclosed
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-14 US disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-04-23 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 (4 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-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA GAA 1426/4885CES2 2994/4885CES1 792/4885
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORC, RORA, RORB GAA 1955/4885CES2 3655/4885CES1 1212/4885
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods RORC, RORA, RORB GAA 1622/4885CES2 4328/4885CES1 2140/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA GAA 2944/4885CES2 3783/4885CES1 2270/4885

“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.