SCHEMBL3345355

SCHEMBL3345355

Oc1cc(C(F)(F)F)nc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.44
IGF1R P08069 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
JAK2 O60674 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
JAK3 P52333 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL11828378 0.87 NT5E (0.51) NT5EIGF1RPOLBKDM4EHTT
SCHEMBL3344697 0.84 NT5E (0.56) NT5EIGF1RPOLBKDM4EHTT
SCHEMBL11133397 0.81 KDM4E (0.49) NT5EKDM4EHTTLMNAGSK3A
SCHEMBL11837223 0.80 NT5E (0.51) NT5EIGF1RPOLBKDM4EHTT
SCHEMBL3822947 0.80 NR4A2 (0.58) NT5EIGF1RPOLBKDM4EHTT
SCHEMBL11831900 0.80 NT5E (0.44) NT5EIGF1RPOLBKDM4EHTT
SCHEMBL29029739 0.80 ADRB2 (0.45) NT5EKDM4EHTTLMNACYP1A2
SCHEMBL2425907 0.77 ADORA2A (0.58) NT5EIGF1RPOLBLMNAMAPT
SCHEMBL8127677 0.77 POLB (0.47) POLBKDM4EHTTCYP3A4CYP2C9
SCHEMBL8070450 0.77 POLB (0.41) POLBKDM4EHTTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 WO disclosed
WO-2010089341-A1 NOVEL VANCOMYCIN-AMINOQUINOLINE HYBRID MOLECULES THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS PALUMED S.A. (FR) 2010-08-12 WO disclosed
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
US-3953453-A ANTIMALARIAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-04-27 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 (2 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 NT5E 3158/4885IGF1R 3417/4885POLB 2164/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 NT5E 1254/4885IGF1R 195/4885POLB 2771/4885

“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.