SCHEMBL7983265

SCHEMBL7983265

CC(=O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
HRH3 Q9Y5N1 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NLRP3 Q96P20 1/20 0.50
EPHX2 P34913 3/20 0.49
ACACB O00763 1/20 0.49
LTA4H P09960 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
EPHX1 P07099 1/20 0.49
MAPK8 P45983 1/20 0.48
VNN1 O95497 1/20 0.47
BCL2L1 Q07817 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 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
SCHEMBL9265684 0.95 EPHX2 (0.56) POLBHRH3MEN1KMT2ASMN1; SMN2
SCHEMBL22323751 0.88 EPHX2 (0.71) POLBMEN1KMT2ASMN1; SMN2NLRP3
SCHEMBL6618984 0.85 EPHX2 (0.48) HRH3MEN1KMT2ASMN1; SMN2NLRP3
SCHEMBL9269591 0.83 LTA4H (0.52) POLBNLRP3EPHX2LTA4H
SCHEMBL5320394 0.83 POLB (0.58) POLBMEN1KMT2ASMN1; SMN2ACACB
SCHEMBL378766 0.83 EPHX2 (0.54) HRH3MEN1KMT2ASMN1; SMN2NLRP3
SCHEMBL19730987 0.83 MEN1 (0.53) POLBHRH3MEN1KMT2ASMN1; SMN2
SCHEMBL12330947 0.82 ALDH1A1 (0.52) SMN1; SMN2EPHX2ACACBLTA4HNR1H4
SCHEMBL9682203 0.82 MEN1 (0.71) POLBHRH3MEN1KMT2ASMN1; SMN2
SCHEMBL20351686 0.82 HRH3 (0.52) POLBHRH3MEN1KMT2ASMN1; 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205088-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RES (US) 2018-02-21 EP disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-9115061-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-08-25 US disclosed
US-9115061-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-08-25 US disclosed
WO-2015071260-A1 PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-05-21 WO disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
WO-2010120943-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2010-10-21 WO disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
US-20090105319-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105319-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
EP-1385508-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
WO-2007002701-A2 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC. (US) 2007-01-04 WO disclosed
US-4859699-A Substituted N-benzoyl-N'-thienylureas SANDOZ LTD. (CH) 1989-08-22 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 (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-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 POLB 3417/4885HRH3 393/4885MEN1 4843/4885
US-20090105319-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 POLB 3533/4885HRH3 520/4885MEN1 4849/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 POLB 3402/4885HRH3 263/4885MEN1 4790/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P POLB 3796/4885HRH3 2640/4885MEN1 4632/4885

“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.