SCHEMBL5046801

SCHEMBL5046801

O=S(=O)(Nc1c[c]ccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
CCNA1 P78396 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
AR P10275 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.48
HSD11B1 P28845 1/20 0.47
NR1H3 Q13133 1/20 0.47
GPR27 Q9NS67 3/20 0.46
AVPR2 P30518 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5202188 0.85 CA1 (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5040432 0.85 TSHR (0.61) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL5041834 0.83 MEN1 (0.55) FFAR1FFAR4MEN1KMT2AMAPK1
SCHEMBL5040405 0.82 FFAR4 (0.52) FFAR4MAPTHDAC3HDAC4HDAC1
SCHEMBL5040142 0.81 MEN1 (0.54) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL7572845 0.81 KMT2A (0.67) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL965226 0.81 KEAP1 (0.66) ERAP1NR1H3MEN1KMT2AMAPT
SCHEMBL10774342 0.80 KMT2A (0.65) ERAP1MEN1KMT2AMAPTLMNA
SCHEMBL751419 0.80 CYP19A1 (0.63) ERAP1ARMEN1KMT2AMAPT
SCHEMBL28821888 0.80 UQCRB (0.54) FFAR4ERAP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250325-B1 PHENANTHRIDINE-N-OXIDES NYCOMED GMBH (DE) 2008-05-07 EP disclosed
US-6630483-B2 Phenanthridine-N-oxides ALTANA PHARMA AG (DE) 2003-10-07 US disclosed
US-20030105123-A1 For therapy of respiratory system disorders ALTANA PHARMA AG (DE) 2003-06-05 US disclosed
EP-0889886-B1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION ALTANA PHARMA AG (DE) 2002-09-18 EP disclosed
US-6127378-A A PHOSPHODIESTERASE ENZYME INHIBITOR AS BRONCHIAL THERAPEUTICS, AN ANTIINFLAMMATORY AGENT TREATING ASTHMA PROPHYLAXIS, SKIN DISORDERS, INTESTINE DISORDERS, EYE DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, JOINTS DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-10-03 US disclosed
EP-0889886-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-01-13 EP disclosed
WO-1997035854-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-10-02 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 (1 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-20030105123-A1 For therapy of respiratory system disorders CHRM3, CYP11B1, CYP11B2 FFAR1 339/4885CDK1 3048/4885CCNB1 2613/4885

“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.