SCHEMBL650261

SCHEMBL650261

O=S(=O)(NC1CNc2ccc(Br)cc2C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.56
CTSL P07711 4/20 0.43
CTSK P43235 4/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HTR1A P08908 5/20 0.41
HTR7 P34969 5/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CTSS P25774 3/20 0.40
CTSC P53634 3/20 0.40
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APOB P04114 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL651345 0.85 HDAC8 (0.53) HDAC8HTTHTR1AHTR7PSEN1
SCHEMBL651549 0.85 HDAC8 (0.65) HDAC8HTTHTR1AHTR7PSEN1
SCHEMBL653658 0.84 HDAC8 (0.51) HDAC8CTSLCTSKPSEN1PSEN2
SCHEMBL12894156 0.83 HDAC8 (0.52) HDAC8CTSLCTSKPSEN1PSEN2
SCHEMBL12894277 0.83 HDAC8 (0.52) HDAC8CTSLCTSKPSEN1PSEN2
SCHEMBL12894159 0.83 HDAC8 (0.52) HDAC8CTSLCTSKPSEN1PSEN2
SCHEMBL7239677 0.83 HDAC8 (0.46) HDAC8
SCHEMBL652946 0.82 HDAC8 (0.51) HDAC8CTSLCTSKPSEN1PSEN2
SCHEMBL650319 0.82 HDAC8 (0.51) HDAC8CTSLCTSKPSEN1PSEN2
SCHEMBL651669 0.82 HDAC8 (0.51) HDAC8CTSLCTSKPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US disclosed
US-6602883-B1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-6387926-B1 ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2002-05-14 US disclosed
EP-0994856-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP disclosed
EP-0994856-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-26 EP disclosed
WO-1999001434-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-14 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 (3 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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 HDAC8 2618/4885CTSL 3703/4885CTSK 3143/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 HDAC8 2618/4885CTSL 3703/4885CTSK 3143/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 HDAC8 2618/4885CTSL 3703/4885CTSK 3143/4885

“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.