SCHEMBL6976640

SCHEMBL6976640

CNc1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.61
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA1 P00915 1/20 0.57
TSHR P16473 3/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 3/20 0.53
PRMT1 Q99873 2/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 5/20 0.50
PKM P14618 2/20 0.50
CYP3A4 P08684 2/20 0.49
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49

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
SCHEMBL8418962 0.91 CA12 (0.67) HTR6CA12CA2CA1TSHR
(Phenylsulfonyl)Benzene SCHEMBL11592754 0.84 HTR6 (0.78) HTR6CA12CA2CA1TSHR
SCHEMBL19681874 0.83 GAA (0.70) CA12CA2CA1KMT2AMEN1
SCHEMBL13169865 0.82 HTR6 (0.54) HTR6CA12CA2CA1TSHR
SCHEMBL18270518 0.81 ALDH1A1 (0.55) CA12CA2CA1TSHRKMT2A
SCHEMBL9806707 0.81 HTR6 (0.67) HTR6CA12CA2CA1TSHR
SCHEMBL5051390 0.81 HTR6 (0.93) HTR6CA12CA2CA1TSHR
Hydrochloric Acid SCHEMBL28149921 0.79 CA2 (0.53) CA12CA2CA1KMT2AMEN1
SCHEMBL8026965 0.79 KEAP1 (0.69) HTR6CA12CA2CA1KMT2A
SCHEMBL4164729 0.78 ALDH1A1 (0.68) HTR6CA12CA2CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN disclosed
CN-106243023-A For suppressing guanidine compound and the compositions of NAMPT 福马TM有限责任公司 2016-12-21 CN disclosed
CN-103717574-A Novel compounds and compositions for the inhibition of nampt FORMA TM LLC 2014-04-09 CN disclosed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN disclosed
CN-103261160-A guanidine compounds and compositions for inhibition of NAMPT FORMA THERAPEUTICS INC 2013-08-21 CN disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 CN disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
CN-1531425-A Urea derivatives as integrin alpha 4 antagonists ������ҩ�����޹�˾ 2004-09-22 CN 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 HTR6 755/4885CA12 3409/4885CA2 1359/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 HTR6 755/4885CA12 3409/4885CA2 1359/4885

“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.