SCHEMBL289919

SCHEMBL289919

CC(C(=O)O)c1cc(OCc2ccccc2)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ALOX5 P09917 2/20 0.44
RRM1 P23921 1/20 0.44
PTGS1 P23219 1/20 0.42
CXCR2 P25025 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
PTGS2 P35354 1/20 0.41
CXCR1 P25024 1/20 0.41

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
SCHEMBL14032970 0.87 KMT2A (0.59) KMT2AMEN1ALOX5RRM1PTGS1
SCHEMBL1593103 0.85 PSEN1 (0.51) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL137505 0.83 PSEN1 (0.56) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL14002243 0.81 MAOB (0.59) KMT2AMEN1SMN1; SMN2
SCHEMBL8896523 0.81 MEN1 (0.50) KMT2AMEN1ALOX5PTGS1SMN1; SMN2
SCHEMBL7419857 0.81 GRM5 (0.51) KMT2AMEN1SMN1; SMN2
SCHEMBL289911 0.81 KMT2A (0.51) KMT2AMEN1ALOX5RRM1PTGS1
SCHEMBL13599949 0.81 MEN1 (0.49) KMT2AMEN1ALOX5
SCHEMBL3718587 0.80 LTB4R (0.52) KMT2AMEN1
SCHEMBL89330 0.80 LMNA (0.55) KMT2AMEN1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938221-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2018-04-10 US disclosed
US-9439882-B2 Compounds and compositions for the treatment of cancer PROMETIC BIOSCIENCES INC. (CA) 2016-09-13 US disclosed
US-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PROMETIC BIOSCIENCES INC. (CA) 2016-01-28 US disclosed
US-20150313856-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC PHARMA SMT LIMITED (GB) 2015-11-05 US disclosed
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF Liminal Biosciences Limited (GB) 2015-04-02 US disclosed
US-8927765-B2 Substituted aromatic compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2015-01-06 US disclosed
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
EP-2427416-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF ProMetic BioSciences Inc. (CA) 2012-03-14 EP 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-20160023983-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR THE TREATMENT OF PULMONARY FIBROSIS, LIVER FIBROSIS,SKIN FIBROSIS AND CARDIAC FIBROSIS PAH, HRH3, CFH KMT2A 1506/4885MEN1 1807/4885PSEN1 3845/4885
US-20150094372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF TYR, PAH, REN KMT2A 2789/4885MEN1 4643/4885PSEN1 2492/4885
US-20150313856-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER DCK, TOP2B, TOP2A KMT2A 1361/4885MEN1 3382/4885PSEN1 4324/4885
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof TYR, PAH, REN KMT2A 2789/4885MEN1 4643/4885PSEN1 2492/4885

“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.