SCHEMBL197560

SCHEMBL197560

CC(C)Oc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.43
PARP10 Q53GL7 1/20 0.41
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
AR P10275 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
PTPN5 P54829 1/20 0.36
ALDH1A3 P47895 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6718728 0.83 FFAR4 (0.39) FFAR4ARSMN1; SMN2
SCHEMBL14619062 0.81 ALOX5 (0.44) FFAR4BRD4
SCHEMBL12896068 0.80 SLC6A4 (0.43) FFAR4PARP10PDK2ALDH1A1KMT2A
SCHEMBL14198838 0.80 PDK2 (0.41) FFAR4PARP10PDK2ALDH1A1KMT2A
SCHEMBL14619060 0.80 PLK1 (0.41) FFAR4AR
SCHEMBL2746365 0.80 FFAR4 (0.40) FFAR4ARRXRARXRBRXRG
SCHEMBL29961263 0.79 FFAR4 (0.56) FFAR4ALDH1A1KMT2AARSMN1; SMN2
SCHEMBL77088 0.79 FFAR4 (0.56) FFAR4ALDH1A1KMT2AARSMN1; SMN2
SCHEMBL710315 0.79 NR4A1 (0.54) FFAR4ALDH1A1KMT2AGLAAR
SCHEMBL3719192 0.79 ALDH1A1 (0.43) FFAR4PARP10PDK2ALDH1A1KMT2A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 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 (7 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 FFAR4 4668/4885PARP10 1828/4885PDK2 551/4885
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 FFAR4 1591/4885PARP10 3179/4885PDK2 3054/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 FFAR4 1591/4885PARP10 3179/4885PDK2 3054/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 FFAR4 2436/4885PARP10 3848/4885PDK2 1525/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT FFAR4 4192/4885PARP10 1623/4885PDK2 2152/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 FFAR4 3504/4885PARP10 2318/4885PDK2 2075/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR FFAR4 4037/4885PARP10 1727/4885PDK2 2326/4885

“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.