SCHEMBL9937870

SCHEMBL9937870

CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
PPARD Q03181 7/20 0.48
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
MMP8 P22894 2/20 0.45
FAAH O00519 1/20 0.45
GLA P06280 1/20 0.44
MLYCD O95822 1/20 0.43
MC4R P32245 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL9978071 0.94 CNR1 (0.53) POLBCNR1CNR2PPARDPLAAT3
SCHEMBL9978065 0.87 CNR1 (0.50) POLBCNR1CNR2PPARDGLA
SCHEMBL9978092 0.86 CNR1 (0.55) POLBCNR1CNR2PPARD
SCHEMBL9978149 0.85 CNR1 (0.53) POLBCNR1CNR2PPARDNPC1
SCHEMBL9978045 0.85 CNR1 (0.48) POLBCNR1CNR2PPARD
SCHEMBL9978172 0.84 POLB (0.56) POLBCNR1CNR2PLAAT3PLAAT5
SCHEMBL9978037 0.83 CNR1 (0.51) POLBCNR1CNR2PPARDNPC1
SCHEMBL9937741 0.82 CNR1 (0.50) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978072 0.82 CNR1 (0.49) POLBCNR1CNR2PPARDTRPM8
SCHEMBL9978007 0.80 CNR1 (0.52) POLBCNR1CNR2PPARDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 US disclosed
US-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 US disclosed
WO-2013059622-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-04-25 WO disclosed
WO-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed
WO-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 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-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS CLPP, LONP1, CLPX POLB 927/4885CNR1 4284/4885CNR2 4428/4885

“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.