SCHEMBL3822947

SCHEMBL3822947

Nc1cc(C(F)(F)F)nc2cc(Cl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.58
SOS2 Q07890 1/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NT5E P21589 2/20 0.44
ACHE P22303 4/20 0.42
BCHE P06276 2/20 0.42
CHRM1 P11229 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
PIK3CG P48736 1/20 0.39
IGF1R P08069 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 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
SCHEMBL24360047 0.87 NT5E (0.51) NR4A2KDM4EALDH1A1HSD17B10NT5E
SCHEMBL3344697 0.84 NT5E (0.56) NR4A2SOS2KDM4EALDH1A1HSD17B10
SCHEMBL3828474 0.81 BACE1 (0.45) NR4A2KDM4EALDH1A1HSD17B10NT5E
SCHEMBL26390863 0.81 KDM4E (0.45) NR4A2KDM4EALDH1A1HSD17B10NT5E
SCHEMBL3850835 0.81 BACE1 (0.45) NR4A2KDM4EALDH1A1HSD17B10NT5E
SCHEMBL11837223 0.80 NT5E (0.51) NR4A2KDM4EALDH1A1HSD17B10NT5E
SCHEMBL26406670 0.80 ADRB2 (0.45) NR4A2KDM4EALDH1A1NT5EACHE
SCHEMBL11831900 0.80 NT5E (0.44) NR4A2SOS2KDM4EALDH1A1HSD17B10
SCHEMBL3345355 0.80 NT5E (0.44) NR4A2KDM4EALDH1A1HSD17B10NT5E
SCHEMBL30106738 0.77 NCF1 (0.55) KDM4EALDH1A1HSD17B10NT5EACHE

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
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 NR4A2 795/4885SOS2 4388/4885KDM4E 3616/4885

“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.