SCHEMBL9978070

SCHEMBL9978070

CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
PPARD Q03181 7/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 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
SCHEMBL9978218 0.93 CNR1 (0.46) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978008 0.90 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978004 0.90 CNR1 (0.48) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978006 0.90 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978005 0.90 CNR1 (0.47) CNR1CNR2PPARDRAB9A
SCHEMBL9978215 0.89 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978219 0.89 PPARD (0.50) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978038 0.88 MTNR1A (0.49) CNR1CNR2PPARD
SCHEMBL9978029 0.88 CNR1 (0.46) CNR1CNR2PPARD
SCHEMBL9937741 0.87 CNR1 (0.50) CNR1CNR2PPARDNPC1RAB9A

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
CN-113355339-B Traceless fixed-point transformation method for large gene cluster and application thereof 山东大学 2023-01-24 CN disclosed
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

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 CNR1 4284/4885CNR2 4428/4885PPARD 2251/4885

“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.