SCHEMBL163797

SCHEMBL163797

Nc1ccc(S(=O)(=O)c2ccccc2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.59
TSHR P16473 3/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
HKDC1 Q2TB90 1/20 0.49
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
USP2 O75604 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AGO2 Q9UKV8 1/20 0.48

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
SCHEMBL3790370 0.86 HTR6 (0.69) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL2472588 0.84 CA2 (0.54) HTR6LMNACA1CA2CA4
SCHEMBL3833910 0.84 CA1 (0.58) HTR6TSHRCA1CA2CA4
SCHEMBL11779771 0.82 HTR6 (0.61) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL7190093 0.81 HTR6 (0.56) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL29196139 0.81 CA1 (0.50) HTR6LMNACA1CA2CA4
SCHEMBL9388942 0.81 GAA (0.56) LMNACYP3A4CA1CA2CA4
SCHEMBL34558 0.80 HTR6 (0.77) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL38660050 0.79 CA1 (0.68) CYP2C9CA1CA2CA4CA6
SCHEMBL2475835 0.79 CA1 (0.68) CYP2C9CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 US disclosed
US-10647695-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2020-05-12 US disclosed
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-09-05 US disclosed
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-06-25 US disclosed
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2018-10-11 US disclosed
EP-2611777-B1 N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM LLC (US) 2016-05-11 EP disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
EP-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 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 (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-10647695-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 HTR6 1044/4885TSHR 2779/4885LMNA 419/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 HTR6 1196/4885TSHR 2416/4885LMNA 984/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 HTR6 1044/4885TSHR 2779/4885LMNA 419/4885
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 HTR6 1196/4885TSHR 2416/4885LMNA 984/4885
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 HTR6 1044/4885TSHR 2779/4885LMNA 419/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 HTR6 1196/4885TSHR 2416/4885LMNA 984/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HTR6 1706/4885TSHR 2455/4885LMNA 1579/4885

“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.